USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 THR OG1 : rot 135:sc= 0.481 USER MOD Set 1.2: A 73 SER OG : rot 108:sc= 0.521 USER MOD Set 2.1: A 26 CYS SG : rot -40:sc= 0.0544 USER MOD Set 2.2: A 71 HIS :FLIP no HD1:sc= -1.82 F(o=-3.7!,f=-1.8) USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -2.67 F(o=-3.3!,f=-2.7) USER MOD Set 3.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00493 X(o=-0.0049,f=-0.2) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 21 SER OG : rot -160:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -0.909 (180deg=-1.97!) USER MOD Single : A 29 TYR OH : rot -18:sc= -0.115! USER MOD Single : A 30 CYS SG : rot -171:sc= 0.441 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 40 GLN : amide:sc= -0.361 K(o=-0.36,f=-3!) USER MOD Single : A 42 MET CE :methyl 167:sc= -1.78 (180deg=-2.51) USER MOD Single : A 44 GLN : amide:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 45 THR OG1 : rot 79:sc= 0.115 USER MOD Single : A 47 SER OG : rot 180:sc= -0.44 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -165:sc=-0.00145 (180deg=-0.507) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -73:sc= 0.356 USER MOD Single : A 64 SER OG : rot 41:sc= -0.0623 USER MOD Single : A 69 SER OG : rot 180:sc= -0.111 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.84 F(o=-4.7!,f=-2.8) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -1.94! C(o=-3!,f=-1.9!) USER MOD Single : A 84 THR OG1 : rot -73:sc= -0.546 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HE2:sc= -0.338 F(o=-1.5,f=-0.34) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot -120:sc= -3.25 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.427 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 30:sc= 0.0275 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.620 -21.715 12.672 1.00 0.00 N ATOM 2 CA GLY A 1 13.288 -21.334 12.241 1.00 0.00 C ATOM 3 C GLY A 1 12.798 -20.070 12.920 1.00 0.00 C ATOM 4 O GLY A 1 12.673 -20.024 14.143 1.00 0.00 O ATOM 0 H1 GLY A 1 14.909 -22.584 12.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.289 -20.951 12.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.618 -21.883 13.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.287 -21.186 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.595 -22.148 12.452 1.00 0.00 H new ATOM 8 N SER A 2 12.521 -19.043 12.124 1.00 0.00 N ATOM 9 CA SER A 2 12.047 -17.770 12.656 1.00 0.00 C ATOM 10 C SER A 2 10.542 -17.812 12.903 1.00 0.00 C ATOM 11 O SER A 2 9.831 -18.644 12.340 1.00 0.00 O ATOM 12 CB SER A 2 12.386 -16.632 11.691 1.00 0.00 C ATOM 13 OG SER A 2 11.587 -16.699 10.522 1.00 0.00 O ATOM 0 H SER A 2 12.616 -19.067 11.109 1.00 0.00 H new ATOM 0 HA SER A 2 12.549 -17.592 13.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.232 -15.673 12.186 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.440 -16.684 11.418 1.00 0.00 H new ATOM 0 HG SER A 2 11.822 -15.960 9.923 1.00 0.00 H new ATOM 19 N SER A 3 10.063 -16.906 13.751 1.00 0.00 N ATOM 20 CA SER A 3 8.644 -16.840 14.077 1.00 0.00 C ATOM 21 C SER A 3 8.079 -15.455 13.774 1.00 0.00 C ATOM 22 O SER A 3 8.827 -14.504 13.549 1.00 0.00 O ATOM 23 CB SER A 3 8.421 -17.184 15.551 1.00 0.00 C ATOM 24 OG SER A 3 7.760 -18.430 15.691 1.00 0.00 O ATOM 0 H SER A 3 10.637 -16.208 14.224 1.00 0.00 H new ATOM 0 HA SER A 3 8.121 -17.569 13.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.380 -17.217 16.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.830 -16.400 16.025 1.00 0.00 H new ATOM 0 HG SER A 3 7.631 -18.627 16.642 1.00 0.00 H new ATOM 30 N GLY A 4 6.754 -15.351 13.771 1.00 0.00 N ATOM 31 CA GLY A 4 6.112 -14.078 13.496 1.00 0.00 C ATOM 32 C GLY A 4 4.610 -14.132 13.695 1.00 0.00 C ATOM 33 O GLY A 4 3.985 -15.169 13.476 1.00 0.00 O ATOM 0 H GLY A 4 6.114 -16.124 13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.535 -13.313 14.147 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.329 -13.779 12.471 1.00 0.00 H new ATOM 37 N SER A 5 4.030 -13.012 14.115 1.00 0.00 N ATOM 38 CA SER A 5 2.593 -12.937 14.349 1.00 0.00 C ATOM 39 C SER A 5 1.819 -13.513 13.168 1.00 0.00 C ATOM 40 O SER A 5 2.308 -13.527 12.038 1.00 0.00 O ATOM 41 CB SER A 5 2.170 -11.488 14.594 1.00 0.00 C ATOM 42 OG SER A 5 1.887 -11.263 15.964 1.00 0.00 O ATOM 0 H SER A 5 4.533 -12.144 14.300 1.00 0.00 H new ATOM 0 HA SER A 5 2.363 -13.529 15.234 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.963 -10.815 14.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.289 -11.257 13.995 1.00 0.00 H new ATOM 0 HG SER A 5 1.621 -10.329 16.094 1.00 0.00 H new ATOM 48 N SER A 6 0.607 -13.987 13.437 1.00 0.00 N ATOM 49 CA SER A 6 -0.235 -14.568 12.397 1.00 0.00 C ATOM 50 C SER A 6 -1.613 -13.913 12.385 1.00 0.00 C ATOM 51 O SER A 6 -2.320 -13.908 13.391 1.00 0.00 O ATOM 52 CB SER A 6 -0.377 -16.076 12.610 1.00 0.00 C ATOM 53 OG SER A 6 0.626 -16.787 11.906 1.00 0.00 O ATOM 0 H SER A 6 0.186 -13.980 14.366 1.00 0.00 H new ATOM 0 HA SER A 6 0.243 -14.387 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.310 -16.304 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.362 -16.403 12.275 1.00 0.00 H new ATOM 0 HG SER A 6 0.514 -17.748 12.060 1.00 0.00 H new ATOM 59 N GLY A 7 -1.987 -13.359 11.235 1.00 0.00 N ATOM 60 CA GLY A 7 -3.279 -12.708 11.112 1.00 0.00 C ATOM 61 C GLY A 7 -3.986 -13.064 9.820 1.00 0.00 C ATOM 62 O GLY A 7 -3.521 -12.722 8.734 1.00 0.00 O ATOM 0 H GLY A 7 -1.419 -13.349 10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.907 -12.991 11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.144 -11.628 11.163 1.00 0.00 H new ATOM 66 N ASN A 8 -5.116 -13.757 9.937 1.00 0.00 N ATOM 67 CA ASN A 8 -5.888 -14.163 8.769 1.00 0.00 C ATOM 68 C ASN A 8 -6.453 -12.947 8.041 1.00 0.00 C ATOM 69 O ASN A 8 -6.238 -12.771 6.842 1.00 0.00 O ATOM 70 CB ASN A 8 -7.025 -15.098 9.183 1.00 0.00 C ATOM 71 CG ASN A 8 -7.457 -16.018 8.058 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.417 -15.733 7.341 1.00 0.00 O ATOM 73 ND2 ASN A 8 -6.747 -17.128 7.897 1.00 0.00 N ATOM 0 H ASN A 8 -5.516 -14.048 10.829 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.221 -14.693 8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.706 -15.697 10.036 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.878 -14.504 9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.989 -17.785 7.156 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.959 -17.324 8.515 1.00 0.00 H new ATOM 80 N THR A 9 -7.177 -12.108 8.776 1.00 0.00 N ATOM 81 CA THR A 9 -7.775 -10.910 8.202 1.00 0.00 C ATOM 82 C THR A 9 -7.179 -9.649 8.818 1.00 0.00 C ATOM 83 O THR A 9 -6.763 -8.733 8.108 1.00 0.00 O ATOM 84 CB THR A 9 -9.302 -10.892 8.400 1.00 0.00 C ATOM 85 OG1 THR A 9 -9.872 -12.117 7.926 1.00 0.00 O ATOM 86 CG2 THR A 9 -9.930 -9.717 7.667 1.00 0.00 C ATOM 0 H THR A 9 -7.363 -12.237 9.771 1.00 0.00 H new ATOM 0 HA THR A 9 -7.556 -10.929 7.134 1.00 0.00 H new ATOM 0 HB THR A 9 -9.506 -10.785 9.465 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.843 -12.098 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.009 -9.726 7.822 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.516 -8.785 8.052 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.716 -9.797 6.601 1.00 0.00 H new ATOM 94 N LYS A 10 -7.140 -9.608 10.146 1.00 0.00 N ATOM 95 CA LYS A 10 -6.593 -8.460 10.859 1.00 0.00 C ATOM 96 C LYS A 10 -7.132 -7.154 10.285 1.00 0.00 C ATOM 97 O LYS A 10 -6.620 -6.647 9.287 1.00 0.00 O ATOM 98 CB LYS A 10 -5.064 -8.469 10.787 1.00 0.00 C ATOM 99 CG LYS A 10 -4.391 -8.039 12.079 1.00 0.00 C ATOM 100 CD LYS A 10 -4.109 -9.227 12.983 1.00 0.00 C ATOM 101 CE LYS A 10 -3.265 -8.827 14.184 1.00 0.00 C ATOM 102 NZ LYS A 10 -4.098 -8.609 15.399 1.00 0.00 N ATOM 0 H LYS A 10 -7.481 -10.356 10.750 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.902 -8.532 11.902 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.727 -9.473 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.743 -7.808 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.457 -7.525 11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.028 -7.326 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.051 -9.656 13.326 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.593 -10.002 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.527 -9.604 14.384 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.714 -7.915 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.486 -8.338 16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.786 -7.850 15.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.605 -9.486 15.635 1.00 0.00 H new ATOM 116 N GLN A 11 -8.166 -6.614 10.922 1.00 0.00 N ATOM 117 CA GLN A 11 -8.772 -5.367 10.473 1.00 0.00 C ATOM 118 C GLN A 11 -8.742 -4.318 11.579 1.00 0.00 C ATOM 119 O GLN A 11 -8.557 -4.643 12.753 1.00 0.00 O ATOM 120 CB GLN A 11 -10.214 -5.609 10.024 1.00 0.00 C ATOM 121 CG GLN A 11 -10.623 -4.779 8.818 1.00 0.00 C ATOM 122 CD GLN A 11 -12.128 -4.667 8.670 1.00 0.00 C ATOM 123 OE1 GLN A 11 -12.834 -5.674 8.610 1.00 0.00 O ATOM 124 NE2 GLN A 11 -12.627 -3.438 8.609 1.00 0.00 N ATOM 0 H GLN A 11 -8.601 -7.021 11.750 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.193 -4.995 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.339 -6.665 9.787 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.886 -5.386 10.853 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.195 -3.780 8.907 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.205 -5.226 7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.005 -2.632 8.663 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.633 -3.300 8.508 1.00 0.00 H new ATOM 133 N LEU A 12 -8.924 -3.059 11.198 1.00 0.00 N ATOM 134 CA LEU A 12 -8.917 -1.960 12.159 1.00 0.00 C ATOM 135 C LEU A 12 -10.159 -1.089 11.998 1.00 0.00 C ATOM 136 O LEU A 12 -10.586 -0.798 10.881 1.00 0.00 O ATOM 137 CB LEU A 12 -7.657 -1.111 11.982 1.00 0.00 C ATOM 138 CG LEU A 12 -6.356 -1.725 12.498 1.00 0.00 C ATOM 139 CD1 LEU A 12 -5.155 -1.043 11.860 1.00 0.00 C ATOM 140 CD2 LEU A 12 -6.284 -1.627 14.014 1.00 0.00 C ATOM 0 H LEU A 12 -9.078 -2.773 10.231 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.922 -2.386 13.162 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.536 -0.893 10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.811 -0.158 12.488 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.339 -2.779 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.237 -1.493 12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.199 -1.166 10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.167 0.019 12.105 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.351 -2.069 14.363 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.324 -0.580 14.313 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.126 -2.162 14.454 1.00 0.00 H new ATOM 152 N ARG A 13 -10.733 -0.673 13.123 1.00 0.00 N ATOM 153 CA ARG A 13 -11.925 0.166 13.107 1.00 0.00 C ATOM 154 C ARG A 13 -11.601 1.561 12.584 1.00 0.00 C ATOM 155 O ARG A 13 -10.594 2.161 12.965 1.00 0.00 O ATOM 156 CB ARG A 13 -12.525 0.262 14.511 1.00 0.00 C ATOM 157 CG ARG A 13 -13.147 -1.036 14.999 1.00 0.00 C ATOM 158 CD ARG A 13 -14.399 -0.779 15.824 1.00 0.00 C ATOM 159 NE ARG A 13 -14.511 -1.701 16.950 1.00 0.00 N ATOM 160 CZ ARG A 13 -15.578 -1.775 17.737 1.00 0.00 C ATOM 161 NH1 ARG A 13 -16.620 -0.984 17.521 1.00 0.00 N ATOM 162 NH2 ARG A 13 -15.606 -2.641 18.742 1.00 0.00 N ATOM 0 H ARG A 13 -10.392 -0.903 14.056 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.653 -0.293 12.438 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.746 0.566 15.210 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.284 1.044 14.520 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.396 -1.665 14.144 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.421 -1.585 15.599 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.385 0.246 16.195 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.279 -0.876 15.188 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.726 -2.323 17.143 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.603 -0.317 16.749 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.439 -1.042 18.127 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.807 -3.252 18.911 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.427 -2.696 19.345 1.00 0.00 H new ATOM 176 N PHE A 14 -12.459 2.073 11.708 1.00 0.00 N ATOM 177 CA PHE A 14 -12.263 3.399 11.130 1.00 0.00 C ATOM 178 C PHE A 14 -12.105 4.450 12.225 1.00 0.00 C ATOM 179 O PHE A 14 -11.488 5.494 12.011 1.00 0.00 O ATOM 180 CB PHE A 14 -13.440 3.763 10.224 1.00 0.00 C ATOM 181 CG PHE A 14 -13.481 5.216 9.848 1.00 0.00 C ATOM 182 CD1 PHE A 14 -13.962 6.163 10.738 1.00 0.00 C ATOM 183 CD2 PHE A 14 -13.039 5.636 8.603 1.00 0.00 C ATOM 184 CE1 PHE A 14 -13.999 7.501 10.395 1.00 0.00 C ATOM 185 CE2 PHE A 14 -13.075 6.973 8.255 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.556 7.907 9.152 1.00 0.00 C ATOM 0 H PHE A 14 -13.297 1.591 11.382 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.350 3.378 10.535 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.388 3.162 9.316 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.370 3.500 10.727 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.312 5.852 11.711 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.662 4.910 7.897 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.374 8.229 11.099 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.727 7.288 7.282 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.585 8.952 8.882 1.00 0.00 H new ATOM 196 N GLU A 15 -12.666 4.167 13.395 1.00 0.00 N ATOM 197 CA GLU A 15 -12.589 5.089 14.522 1.00 0.00 C ATOM 198 C GLU A 15 -11.192 5.079 15.139 1.00 0.00 C ATOM 199 O GLU A 15 -10.717 6.097 15.640 1.00 0.00 O ATOM 200 CB GLU A 15 -13.629 4.722 15.583 1.00 0.00 C ATOM 201 CG GLU A 15 -15.042 5.145 15.221 1.00 0.00 C ATOM 202 CD GLU A 15 -16.043 4.837 16.318 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.534 3.690 16.369 1.00 0.00 O ATOM 204 OE2 GLU A 15 -16.334 5.744 17.125 1.00 0.00 O ATOM 0 H GLU A 15 -13.179 3.307 13.588 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.797 6.093 14.151 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.611 3.644 15.740 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.351 5.187 16.529 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.055 6.215 15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.345 4.638 14.305 1.00 0.00 H new ATOM 211 N ASP A 16 -10.542 3.921 15.096 1.00 0.00 N ATOM 212 CA ASP A 16 -9.201 3.777 15.650 1.00 0.00 C ATOM 213 C ASP A 16 -8.153 4.317 14.681 1.00 0.00 C ATOM 214 O ASP A 16 -7.165 4.925 15.094 1.00 0.00 O ATOM 215 CB ASP A 16 -8.912 2.309 15.967 1.00 0.00 C ATOM 216 CG ASP A 16 -8.746 2.060 17.454 1.00 0.00 C ATOM 217 OD1 ASP A 16 -7.786 2.599 18.043 1.00 0.00 O ATOM 218 OD2 ASP A 16 -9.577 1.327 18.028 1.00 0.00 O ATOM 0 H ASP A 16 -10.922 3.069 14.683 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.151 4.356 16.572 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.725 1.691 15.587 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.006 1.999 15.446 1.00 0.00 H new ATOM 223 N VAL A 17 -8.375 4.089 13.391 1.00 0.00 N ATOM 224 CA VAL A 17 -7.449 4.552 12.363 1.00 0.00 C ATOM 225 C VAL A 17 -7.500 6.070 12.221 1.00 0.00 C ATOM 226 O VAL A 17 -6.491 6.711 11.928 1.00 0.00 O ATOM 227 CB VAL A 17 -7.759 3.910 10.997 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.940 4.569 9.898 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.498 2.412 11.043 1.00 0.00 C ATOM 0 H VAL A 17 -9.187 3.587 13.032 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.450 4.252 12.679 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.814 4.066 10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.173 4.102 8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.181 5.631 9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.878 4.447 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.722 1.974 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.452 2.232 11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.133 1.955 11.802 1.00 0.00 H new ATOM 239 N VAL A 18 -8.682 6.639 12.433 1.00 0.00 N ATOM 240 CA VAL A 18 -8.864 8.082 12.330 1.00 0.00 C ATOM 241 C VAL A 18 -8.555 8.770 13.655 1.00 0.00 C ATOM 242 O VAL A 18 -9.236 9.716 14.049 1.00 0.00 O ATOM 243 CB VAL A 18 -10.302 8.437 11.904 1.00 0.00 C ATOM 244 CG1 VAL A 18 -11.276 8.176 13.042 1.00 0.00 C ATOM 245 CG2 VAL A 18 -10.379 9.886 11.447 1.00 0.00 C ATOM 0 H VAL A 18 -9.528 6.123 12.677 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.169 8.436 11.569 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.582 7.800 11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.286 8.433 12.722 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.239 7.122 13.318 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.002 8.786 13.903 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.401 10.120 11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.080 10.542 12.265 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.711 10.036 10.599 1.00 0.00 H new ATOM 255 N ASN A 19 -7.521 8.289 14.338 1.00 0.00 N ATOM 256 CA ASN A 19 -7.119 8.859 15.619 1.00 0.00 C ATOM 257 C ASN A 19 -5.646 8.582 15.900 1.00 0.00 C ATOM 258 O ASN A 19 -4.945 9.419 16.466 1.00 0.00 O ATOM 259 CB ASN A 19 -7.982 8.288 16.746 1.00 0.00 C ATOM 260 CG ASN A 19 -8.032 9.202 17.956 1.00 0.00 C ATOM 261 OD1 ASN A 19 -7.000 9.658 18.446 1.00 0.00 O ATOM 262 ND2 ASN A 19 -9.238 9.473 18.442 1.00 0.00 N ATOM 0 H ASN A 19 -6.946 7.506 14.026 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.263 9.938 15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.994 8.123 16.377 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.589 7.316 17.044 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.335 10.082 19.254 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.067 9.072 18.003 1.00 0.00 H new ATOM 269 N GLN A 20 -5.185 7.402 15.499 1.00 0.00 N ATOM 270 CA GLN A 20 -3.795 7.013 15.708 1.00 0.00 C ATOM 271 C GLN A 20 -2.864 8.208 15.532 1.00 0.00 C ATOM 272 O GLN A 20 -2.011 8.474 16.378 1.00 0.00 O ATOM 273 CB GLN A 20 -3.402 5.899 14.738 1.00 0.00 C ATOM 274 CG GLN A 20 -3.840 4.515 15.192 1.00 0.00 C ATOM 275 CD GLN A 20 -3.275 3.409 14.322 1.00 0.00 C ATOM 276 OE1 GLN A 20 -2.115 3.458 13.912 1.00 0.00 O ATOM 277 NE2 GLN A 20 -4.094 2.405 14.034 1.00 0.00 N ATOM 0 H GLN A 20 -5.753 6.698 15.028 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.697 6.645 16.729 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.839 6.107 13.762 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.320 5.905 14.610 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.524 4.358 16.223 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.929 4.461 15.181 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.048 2.405 14.395 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.769 1.633 13.451 1.00 0.00 H new ATOM 286 N SER A 21 -3.034 8.927 14.426 1.00 0.00 N ATOM 287 CA SER A 21 -2.207 10.091 14.135 1.00 0.00 C ATOM 288 C SER A 21 -3.059 11.353 14.043 1.00 0.00 C ATOM 289 O SER A 21 -4.249 11.292 13.734 1.00 0.00 O ATOM 290 CB SER A 21 -1.438 9.885 12.829 1.00 0.00 C ATOM 291 OG SER A 21 -0.234 9.173 13.054 1.00 0.00 O ATOM 0 H SER A 21 -3.738 8.723 13.717 1.00 0.00 H new ATOM 0 HA SER A 21 -1.495 10.212 14.951 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.060 9.339 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.214 10.852 12.379 1.00 0.00 H new ATOM 0 HG SER A 21 0.379 9.323 12.305 1.00 0.00 H new ATOM 297 N SER A 22 -2.440 12.499 14.313 1.00 0.00 N ATOM 298 CA SER A 22 -3.141 13.776 14.265 1.00 0.00 C ATOM 299 C SER A 22 -3.909 13.925 12.955 1.00 0.00 C ATOM 300 O SER A 22 -3.546 13.357 11.925 1.00 0.00 O ATOM 301 CB SER A 22 -2.151 14.932 14.422 1.00 0.00 C ATOM 302 OG SER A 22 -1.576 14.937 15.718 1.00 0.00 O ATOM 0 H SER A 22 -1.455 12.568 14.567 1.00 0.00 H new ATOM 0 HA SER A 22 -3.853 13.802 15.090 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.365 14.846 13.672 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.661 15.879 14.243 1.00 0.00 H new ATOM 0 HG SER A 22 -0.946 15.684 15.793 1.00 0.00 H new ATOM 308 N PRO A 23 -4.998 14.707 12.995 1.00 0.00 N ATOM 309 CA PRO A 23 -5.840 14.951 11.819 1.00 0.00 C ATOM 310 C PRO A 23 -5.141 15.809 10.771 1.00 0.00 C ATOM 311 O PRO A 23 -5.292 15.588 9.570 1.00 0.00 O ATOM 312 CB PRO A 23 -7.049 15.692 12.397 1.00 0.00 C ATOM 313 CG PRO A 23 -6.538 16.342 13.637 1.00 0.00 C ATOM 314 CD PRO A 23 -5.490 15.416 14.189 1.00 0.00 C ATOM 0 HA PRO A 23 -6.095 14.026 11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.435 16.430 11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.866 15.005 12.618 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.116 17.323 13.418 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.342 16.495 14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.691 15.965 14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.909 14.726 14.922 1.00 0.00 H new ATOM 322 N LYS A 24 -4.374 16.791 11.234 1.00 0.00 N ATOM 323 CA LYS A 24 -3.648 17.683 10.337 1.00 0.00 C ATOM 324 C LYS A 24 -2.808 16.888 9.343 1.00 0.00 C ATOM 325 O LYS A 24 -3.030 16.958 8.134 1.00 0.00 O ATOM 326 CB LYS A 24 -2.750 18.626 11.140 1.00 0.00 C ATOM 327 CG LYS A 24 -3.221 20.070 11.131 1.00 0.00 C ATOM 328 CD LYS A 24 -3.728 20.501 12.497 1.00 0.00 C ATOM 329 CE LYS A 24 -5.242 20.389 12.591 1.00 0.00 C ATOM 330 NZ LYS A 24 -5.669 19.666 13.819 1.00 0.00 N ATOM 0 H LYS A 24 -4.239 16.989 12.225 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.377 18.272 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.699 18.276 12.171 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.738 18.580 10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.400 20.719 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.014 20.190 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.268 19.883 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.426 21.530 12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.681 21.387 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.623 19.869 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.613 19.255 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.990 18.906 14.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.703 20.330 14.619 1.00 0.00 H new ATOM 344 N ASN A 25 -1.844 16.134 9.859 1.00 0.00 N ATOM 345 CA ASN A 25 -0.971 15.325 9.014 1.00 0.00 C ATOM 346 C ASN A 25 -1.657 14.023 8.612 1.00 0.00 C ATOM 347 O ASN A 25 -1.871 13.140 9.442 1.00 0.00 O ATOM 348 CB ASN A 25 0.338 15.020 9.744 1.00 0.00 C ATOM 349 CG ASN A 25 0.950 13.702 9.307 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.486 12.609 9.903 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.827 13.667 8.446 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.647 16.065 10.857 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.752 15.894 8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.049 15.826 9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.154 14.994 10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.153 14.532 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.228 12.773 8.163 1.00 0.00 H new ATOM 358 N CYS A 26 -1.999 13.912 7.333 1.00 0.00 N ATOM 359 CA CYS A 26 -2.662 12.720 6.820 1.00 0.00 C ATOM 360 C CYS A 26 -1.807 12.038 5.757 1.00 0.00 C ATOM 361 O CYS A 26 -1.742 12.489 4.612 1.00 0.00 O ATOM 362 CB CYS A 26 -4.029 13.080 6.237 1.00 0.00 C ATOM 363 SG CYS A 26 -4.800 14.526 7.002 1.00 0.00 S ATOM 0 H CYS A 26 -1.828 14.634 6.633 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.801 12.027 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.919 13.263 5.168 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.696 12.225 6.347 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.593 14.500 8.285 1.00 0.00 H new ATOM 369 N THR A 27 -1.148 10.949 6.143 1.00 0.00 N ATOM 370 CA THR A 27 -0.293 10.206 5.224 1.00 0.00 C ATOM 371 C THR A 27 -0.616 8.717 5.255 1.00 0.00 C ATOM 372 O THR A 27 -1.104 8.199 6.260 1.00 0.00 O ATOM 373 CB THR A 27 1.197 10.405 5.558 1.00 0.00 C ATOM 374 OG1 THR A 27 1.491 11.801 5.677 1.00 0.00 O ATOM 375 CG2 THR A 27 2.079 9.785 4.486 1.00 0.00 C ATOM 0 H THR A 27 -1.190 10.562 7.086 1.00 0.00 H new ATOM 0 HA THR A 27 -0.488 10.596 4.225 1.00 0.00 H new ATOM 0 HB THR A 27 1.403 9.909 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.440 11.918 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.127 9.938 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.874 8.717 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.869 10.255 3.525 1.00 0.00 H new ATOM 383 N VAL A 28 -0.341 8.033 4.150 1.00 0.00 N ATOM 384 CA VAL A 28 -0.599 6.602 4.052 1.00 0.00 C ATOM 385 C VAL A 28 0.645 5.848 3.595 1.00 0.00 C ATOM 386 O VAL A 28 1.043 5.933 2.434 1.00 0.00 O ATOM 387 CB VAL A 28 -1.752 6.305 3.074 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.963 4.805 2.935 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.030 6.991 3.535 1.00 0.00 C ATOM 0 H VAL A 28 0.061 8.447 3.309 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.880 6.263 5.049 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.486 6.702 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.781 4.616 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.051 4.343 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.208 4.380 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.835 6.771 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.302 6.626 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.870 8.068 3.577 1.00 0.00 H new ATOM 399 N TYR A 29 1.254 5.111 4.517 1.00 0.00 N ATOM 400 CA TYR A 29 2.455 4.342 4.211 1.00 0.00 C ATOM 401 C TYR A 29 2.095 2.959 3.678 1.00 0.00 C ATOM 402 O TYR A 29 1.426 2.176 4.354 1.00 0.00 O ATOM 403 CB TYR A 29 3.333 4.210 5.456 1.00 0.00 C ATOM 404 CG TYR A 29 4.585 3.394 5.230 1.00 0.00 C ATOM 405 CD1 TYR A 29 5.763 3.996 4.804 1.00 0.00 C ATOM 406 CD2 TYR A 29 4.590 2.020 5.441 1.00 0.00 C ATOM 407 CE1 TYR A 29 6.910 3.254 4.596 1.00 0.00 C ATOM 408 CE2 TYR A 29 5.733 1.271 5.237 1.00 0.00 C ATOM 409 CZ TYR A 29 6.890 1.892 4.814 1.00 0.00 C ATOM 410 OH TYR A 29 8.030 1.150 4.608 1.00 0.00 O ATOM 0 H TYR A 29 0.936 5.030 5.483 1.00 0.00 H new ATOM 0 HA TYR A 29 3.010 4.875 3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.615 5.206 5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.750 3.752 6.255 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.782 5.062 4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.686 1.530 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.817 3.738 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.721 0.205 5.408 1.00 0.00 H new ATOM 0 HH TYR A 29 8.656 1.659 4.052 1.00 0.00 H new ATOM 420 N CYS A 30 2.545 2.664 2.464 1.00 0.00 N ATOM 421 CA CYS A 30 2.272 1.375 1.838 1.00 0.00 C ATOM 422 C CYS A 30 3.529 0.512 1.799 1.00 0.00 C ATOM 423 O CYS A 30 4.461 0.788 1.044 1.00 0.00 O ATOM 424 CB CYS A 30 1.732 1.576 0.422 1.00 0.00 C ATOM 425 SG CYS A 30 0.408 0.432 -0.032 1.00 0.00 S ATOM 0 H CYS A 30 3.101 3.300 1.893 1.00 0.00 H new ATOM 0 HA CYS A 30 1.519 0.861 2.436 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.364 2.597 0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.552 1.465 -0.287 1.00 0.00 H new ATOM 0 HG CYS A 30 0.151 0.548 -1.301 1.00 0.00 H new ATOM 431 N GLY A 31 3.549 -0.534 2.620 1.00 0.00 N ATOM 432 CA GLY A 31 4.697 -1.420 2.665 1.00 0.00 C ATOM 433 C GLY A 31 4.343 -2.847 2.299 1.00 0.00 C ATOM 434 O GLY A 31 3.396 -3.417 2.840 1.00 0.00 O ATOM 0 H GLY A 31 2.790 -0.783 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.463 -1.052 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.127 -1.401 3.666 1.00 0.00 H new ATOM 438 N GLY A 32 5.104 -3.427 1.376 1.00 0.00 N ATOM 439 CA GLY A 32 4.849 -4.792 0.953 1.00 0.00 C ATOM 440 C GLY A 32 5.423 -5.090 -0.417 1.00 0.00 C ATOM 441 O GLY A 32 6.170 -6.055 -0.587 1.00 0.00 O ATOM 0 H GLY A 32 5.893 -2.976 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.278 -5.481 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.774 -4.970 0.940 1.00 0.00 H new ATOM 445 N ILE A 33 5.073 -4.264 -1.397 1.00 0.00 N ATOM 446 CA ILE A 33 5.558 -4.447 -2.759 1.00 0.00 C ATOM 447 C ILE A 33 7.072 -4.272 -2.832 1.00 0.00 C ATOM 448 O ILE A 33 7.644 -3.434 -2.134 1.00 0.00 O ATOM 449 CB ILE A 33 4.891 -3.457 -3.732 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.371 -3.487 -3.563 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.277 -3.783 -5.167 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.733 -2.116 -3.583 1.00 0.00 C ATOM 0 H ILE A 33 4.455 -3.462 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 33 5.297 -5.464 -3.053 1.00 0.00 H new ATOM 0 HB ILE A 33 5.243 -2.451 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.937 -4.092 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.128 -3.978 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.798 -3.075 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.359 -3.714 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.951 -4.794 -5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.655 -2.215 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.139 -1.514 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.945 -1.630 -4.535 1.00 0.00 H new ATOM 464 N ALA A 34 7.714 -5.067 -3.682 1.00 0.00 N ATOM 465 CA ALA A 34 9.160 -4.996 -3.848 1.00 0.00 C ATOM 466 C ALA A 34 9.551 -5.126 -5.317 1.00 0.00 C ATOM 467 O ALA A 34 10.433 -4.416 -5.799 1.00 0.00 O ATOM 468 CB ALA A 34 9.839 -6.079 -3.023 1.00 0.00 C ATOM 0 H ALA A 34 7.256 -5.767 -4.266 1.00 0.00 H new ATOM 0 HA ALA A 34 9.494 -4.021 -3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.919 -6.015 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.594 -5.941 -1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.491 -7.058 -3.351 1.00 0.00 H new ATOM 474 N SER A 35 8.888 -6.037 -6.022 1.00 0.00 N ATOM 475 CA SER A 35 9.169 -6.263 -7.436 1.00 0.00 C ATOM 476 C SER A 35 8.004 -5.798 -8.302 1.00 0.00 C ATOM 477 O SER A 35 7.816 -6.277 -9.419 1.00 0.00 O ATOM 478 CB SER A 35 9.451 -7.745 -7.690 1.00 0.00 C ATOM 479 OG SER A 35 10.795 -7.947 -8.093 1.00 0.00 O ATOM 0 H SER A 35 8.153 -6.631 -5.638 1.00 0.00 H new ATOM 0 HA SER A 35 10.051 -5.682 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.250 -8.317 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.777 -8.120 -8.460 1.00 0.00 H new ATOM 0 HG SER A 35 10.950 -8.902 -8.247 1.00 0.00 H new ATOM 485 N GLY A 36 7.220 -4.861 -7.777 1.00 0.00 N ATOM 486 CA GLY A 36 6.082 -4.346 -8.515 1.00 0.00 C ATOM 487 C GLY A 36 5.574 -3.031 -7.957 1.00 0.00 C ATOM 488 O GLY A 36 4.367 -2.800 -7.893 1.00 0.00 O ATOM 0 H GLY A 36 7.353 -4.449 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.362 -4.210 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.277 -5.081 -8.494 1.00 0.00 H new ATOM 492 N LEU A 37 6.499 -2.167 -7.551 1.00 0.00 N ATOM 493 CA LEU A 37 6.139 -0.868 -6.993 1.00 0.00 C ATOM 494 C LEU A 37 6.195 0.218 -8.063 1.00 0.00 C ATOM 495 O LEU A 37 7.275 0.643 -8.477 1.00 0.00 O ATOM 496 CB LEU A 37 7.076 -0.511 -5.838 1.00 0.00 C ATOM 497 CG LEU A 37 6.416 0.121 -4.611 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.453 0.829 -3.753 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.320 1.088 -5.033 1.00 0.00 C ATOM 0 H LEU A 37 7.503 -2.343 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 37 5.117 -0.931 -6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.593 -1.417 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.836 0.175 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 37 5.963 -0.673 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.965 1.273 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.202 0.110 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.936 1.612 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.862 1.528 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.749 1.878 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.563 0.552 -5.605 1.00 0.00 H new ATOM 511 N THR A 38 5.025 0.665 -8.508 1.00 0.00 N ATOM 512 CA THR A 38 4.940 1.702 -9.528 1.00 0.00 C ATOM 513 C THR A 38 3.954 2.791 -9.124 1.00 0.00 C ATOM 514 O THR A 38 2.897 2.508 -8.561 1.00 0.00 O ATOM 515 CB THR A 38 4.514 1.118 -10.888 1.00 0.00 C ATOM 516 OG1 THR A 38 3.458 0.168 -10.704 1.00 0.00 O ATOM 517 CG2 THR A 38 5.690 0.449 -11.583 1.00 0.00 C ATOM 0 H THR A 38 4.122 0.324 -8.177 1.00 0.00 H new ATOM 0 HA THR A 38 5.936 2.135 -9.623 1.00 0.00 H new ATOM 0 HB THR A 38 4.161 1.937 -11.515 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.192 -0.197 -11.573 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.364 0.044 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.480 1.182 -11.748 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.070 -0.359 -10.958 1.00 0.00 H new ATOM 525 N ASP A 39 4.306 4.039 -9.415 1.00 0.00 N ATOM 526 CA ASP A 39 3.451 5.173 -9.083 1.00 0.00 C ATOM 527 C ASP A 39 2.017 4.924 -9.542 1.00 0.00 C ATOM 528 O ASP A 39 1.065 5.225 -8.823 1.00 0.00 O ATOM 529 CB ASP A 39 3.990 6.452 -9.724 1.00 0.00 C ATOM 530 CG ASP A 39 3.741 7.679 -8.868 1.00 0.00 C ATOM 531 OD1 ASP A 39 4.468 7.863 -7.869 1.00 0.00 O ATOM 532 OD2 ASP A 39 2.820 8.454 -9.198 1.00 0.00 O ATOM 0 H ASP A 39 5.178 4.291 -9.880 1.00 0.00 H new ATOM 0 HA ASP A 39 3.452 5.292 -8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.061 6.345 -9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.522 6.592 -10.699 1.00 0.00 H new ATOM 537 N GLN A 40 1.873 4.374 -10.744 1.00 0.00 N ATOM 538 CA GLN A 40 0.556 4.087 -11.298 1.00 0.00 C ATOM 539 C GLN A 40 -0.203 3.100 -10.417 1.00 0.00 C ATOM 540 O GLN A 40 -1.419 3.209 -10.249 1.00 0.00 O ATOM 541 CB GLN A 40 0.687 3.526 -12.715 1.00 0.00 C ATOM 542 CG GLN A 40 -0.648 3.286 -13.400 1.00 0.00 C ATOM 543 CD GLN A 40 -0.885 4.229 -14.564 1.00 0.00 C ATOM 544 OE1 GLN A 40 -0.051 5.083 -14.867 1.00 0.00 O ATOM 545 NE2 GLN A 40 -2.027 4.078 -15.225 1.00 0.00 N ATOM 0 H GLN A 40 2.652 4.119 -11.352 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.006 5.020 -11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.276 4.218 -13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.240 2.587 -12.676 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.689 2.257 -13.757 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.451 3.403 -12.673 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.690 3.357 -14.940 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.241 4.683 -16.018 1.00 0.00 H new ATOM 554 N LEU A 41 0.520 2.138 -9.856 1.00 0.00 N ATOM 555 CA LEU A 41 -0.084 1.131 -8.991 1.00 0.00 C ATOM 556 C LEU A 41 -0.730 1.778 -7.770 1.00 0.00 C ATOM 557 O LEU A 41 -1.926 1.614 -7.529 1.00 0.00 O ATOM 558 CB LEU A 41 0.968 0.114 -8.547 1.00 0.00 C ATOM 559 CG LEU A 41 0.452 -1.072 -7.728 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.530 -1.896 -8.545 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.611 -1.935 -7.252 1.00 0.00 C ATOM 0 H LEU A 41 1.526 2.034 -9.985 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.859 0.617 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.468 -0.273 -9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.723 0.635 -7.958 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.070 -0.686 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.887 -2.735 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.375 -1.272 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.033 -2.273 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.226 -2.773 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.161 -2.313 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.277 -1.338 -6.629 1.00 0.00 H new ATOM 573 N MET A 42 0.068 2.516 -7.006 1.00 0.00 N ATOM 574 CA MET A 42 -0.428 3.191 -5.812 1.00 0.00 C ATOM 575 C MET A 42 -1.507 4.208 -6.170 1.00 0.00 C ATOM 576 O MET A 42 -2.502 4.347 -5.459 1.00 0.00 O ATOM 577 CB MET A 42 0.721 3.886 -5.079 1.00 0.00 C ATOM 578 CG MET A 42 1.712 2.922 -4.449 1.00 0.00 C ATOM 579 SD MET A 42 0.952 1.857 -3.208 1.00 0.00 S ATOM 580 CE MET A 42 0.763 0.337 -4.136 1.00 0.00 C ATOM 0 H MET A 42 1.060 2.662 -7.192 1.00 0.00 H new ATOM 0 HA MET A 42 -0.866 2.439 -5.156 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.250 4.532 -5.780 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.309 4.530 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.158 2.304 -5.229 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.522 3.488 -3.989 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.525 -0.479 -3.453 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.043 0.451 -4.861 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.692 0.112 -4.660 1.00 0.00 H new ATOM 590 N ARG A 43 -1.303 4.915 -7.276 1.00 0.00 N ATOM 591 CA ARG A 43 -2.258 5.920 -7.728 1.00 0.00 C ATOM 592 C ARG A 43 -3.593 5.277 -8.092 1.00 0.00 C ATOM 593 O ARG A 43 -4.654 5.841 -7.833 1.00 0.00 O ATOM 594 CB ARG A 43 -1.700 6.679 -8.934 1.00 0.00 C ATOM 595 CG ARG A 43 -2.338 8.043 -9.143 1.00 0.00 C ATOM 596 CD ARG A 43 -1.943 8.643 -10.482 1.00 0.00 C ATOM 597 NE ARG A 43 -2.119 10.093 -10.507 1.00 0.00 N ATOM 598 CZ ARG A 43 -1.569 10.885 -11.419 1.00 0.00 C ATOM 599 NH1 ARG A 43 -0.811 10.372 -12.378 1.00 0.00 N ATOM 600 NH2 ARG A 43 -1.777 12.194 -11.375 1.00 0.00 N ATOM 0 H ARG A 43 -0.485 4.811 -7.876 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.423 6.621 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.625 6.806 -8.807 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.847 6.077 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.423 7.950 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.036 8.714 -8.339 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.902 8.401 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.543 8.192 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.697 10.521 -9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.649 9.366 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.390 10.984 -13.077 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.360 12.593 -10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.354 12.802 -12.077 1.00 0.00 H new ATOM 614 N GLN A 44 -3.529 4.093 -8.693 1.00 0.00 N ATOM 615 CA GLN A 44 -4.733 3.374 -9.092 1.00 0.00 C ATOM 616 C GLN A 44 -5.422 2.751 -7.883 1.00 0.00 C ATOM 617 O GLN A 44 -6.649 2.761 -7.780 1.00 0.00 O ATOM 618 CB GLN A 44 -4.388 2.289 -10.114 1.00 0.00 C ATOM 619 CG GLN A 44 -5.571 1.859 -10.966 1.00 0.00 C ATOM 620 CD GLN A 44 -6.010 0.436 -10.681 1.00 0.00 C ATOM 621 OE1 GLN A 44 -5.725 -0.481 -11.453 1.00 0.00 O ATOM 622 NE2 GLN A 44 -6.707 0.242 -9.568 1.00 0.00 N ATOM 0 H GLN A 44 -2.657 3.612 -8.914 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.418 4.088 -9.548 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.595 2.655 -10.766 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.993 1.419 -9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.407 2.535 -10.788 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.307 1.949 -12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.921 1.030 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.028 -0.695 -9.324 1.00 0.00 H new ATOM 631 N THR A 45 -4.625 2.208 -6.968 1.00 0.00 N ATOM 632 CA THR A 45 -5.157 1.579 -5.766 1.00 0.00 C ATOM 633 C THR A 45 -5.824 2.606 -4.857 1.00 0.00 C ATOM 634 O THR A 45 -6.897 2.359 -4.309 1.00 0.00 O ATOM 635 CB THR A 45 -4.052 0.851 -4.977 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.590 -0.285 -5.716 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.565 0.403 -3.616 1.00 0.00 C ATOM 0 H THR A 45 -3.607 2.191 -7.037 1.00 0.00 H new ATOM 0 HA THR A 45 -5.900 0.851 -6.092 1.00 0.00 H new ATOM 0 HB THR A 45 -3.226 1.546 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.975 0.011 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.768 -0.109 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.889 1.273 -3.045 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.406 -0.277 -3.750 1.00 0.00 H new ATOM 645 N PHE A 46 -5.180 3.758 -4.703 1.00 0.00 N ATOM 646 CA PHE A 46 -5.711 4.822 -3.859 1.00 0.00 C ATOM 647 C PHE A 46 -6.615 5.753 -4.662 1.00 0.00 C ATOM 648 O PHE A 46 -7.375 6.538 -4.096 1.00 0.00 O ATOM 649 CB PHE A 46 -4.567 5.622 -3.230 1.00 0.00 C ATOM 650 CG PHE A 46 -3.717 4.814 -2.291 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.275 4.207 -1.178 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.360 4.662 -2.523 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.496 3.463 -0.313 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.575 3.919 -1.662 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.143 3.319 -0.554 1.00 0.00 C ATOM 0 H PHE A 46 -4.291 3.979 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.303 4.363 -3.067 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.937 6.025 -4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.983 6.473 -2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.332 4.317 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.910 5.129 -3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.944 2.994 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.518 3.807 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.531 2.739 0.121 1.00 0.00 H new ATOM 665 N SER A 47 -6.525 5.659 -5.985 1.00 0.00 N ATOM 666 CA SER A 47 -7.331 6.495 -6.868 1.00 0.00 C ATOM 667 C SER A 47 -8.777 6.556 -6.385 1.00 0.00 C ATOM 668 O SER A 47 -9.307 7.622 -6.067 1.00 0.00 O ATOM 669 CB SER A 47 -7.282 5.957 -8.299 1.00 0.00 C ATOM 670 OG SER A 47 -8.559 6.020 -8.912 1.00 0.00 O ATOM 0 H SER A 47 -5.902 5.012 -6.469 1.00 0.00 H new ATOM 0 HA SER A 47 -6.917 7.503 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.566 6.534 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.929 4.926 -8.291 1.00 0.00 H new ATOM 0 HG SER A 47 -8.501 5.672 -9.826 1.00 0.00 H new ATOM 676 N PRO A 48 -9.433 5.388 -6.329 1.00 0.00 N ATOM 677 CA PRO A 48 -10.826 5.282 -5.886 1.00 0.00 C ATOM 678 C PRO A 48 -10.982 5.553 -4.394 1.00 0.00 C ATOM 679 O PRO A 48 -11.878 6.288 -3.976 1.00 0.00 O ATOM 680 CB PRO A 48 -11.191 3.830 -6.207 1.00 0.00 C ATOM 681 CG PRO A 48 -9.892 3.101 -6.195 1.00 0.00 C ATOM 682 CD PRO A 48 -8.864 4.079 -6.694 1.00 0.00 C ATOM 0 HA PRO A 48 -11.466 6.015 -6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.880 3.422 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.681 3.750 -7.178 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.647 2.756 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.934 2.219 -6.834 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.894 3.917 -6.224 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.715 3.991 -7.770 1.00 0.00 H new ATOM 690 N PHE A 49 -10.105 4.956 -3.594 1.00 0.00 N ATOM 691 CA PHE A 49 -10.146 5.133 -2.147 1.00 0.00 C ATOM 692 C PHE A 49 -10.283 6.609 -1.784 1.00 0.00 C ATOM 693 O PHE A 49 -10.710 6.951 -0.682 1.00 0.00 O ATOM 694 CB PHE A 49 -8.884 4.553 -1.505 1.00 0.00 C ATOM 695 CG PHE A 49 -9.020 3.110 -1.112 1.00 0.00 C ATOM 696 CD1 PHE A 49 -10.082 2.689 -0.327 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.087 2.174 -1.529 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.209 1.362 0.036 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.209 0.845 -1.169 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.273 0.438 -0.386 1.00 0.00 C ATOM 0 H PHE A 49 -9.357 4.345 -3.923 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.017 4.600 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.052 4.655 -2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.633 5.140 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.818 3.406 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.255 2.487 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.040 1.047 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.474 0.126 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.372 -0.600 -0.105 1.00 0.00 H new ATOM 710 N GLY A 50 -9.916 7.479 -2.719 1.00 0.00 N ATOM 711 CA GLY A 50 -10.005 8.908 -2.479 1.00 0.00 C ATOM 712 C GLY A 50 -9.051 9.702 -3.349 1.00 0.00 C ATOM 713 O GLY A 50 -8.445 9.159 -4.272 1.00 0.00 O ATOM 0 H GLY A 50 -9.559 7.220 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.026 9.242 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.790 9.111 -1.430 1.00 0.00 H new ATOM 717 N GLN A 51 -8.920 10.992 -3.055 1.00 0.00 N ATOM 718 CA GLN A 51 -8.035 11.863 -3.820 1.00 0.00 C ATOM 719 C GLN A 51 -6.606 11.785 -3.293 1.00 0.00 C ATOM 720 O GLN A 51 -6.385 11.668 -2.087 1.00 0.00 O ATOM 721 CB GLN A 51 -8.533 13.308 -3.766 1.00 0.00 C ATOM 722 CG GLN A 51 -8.874 13.886 -5.129 1.00 0.00 C ATOM 723 CD GLN A 51 -10.298 14.397 -5.208 1.00 0.00 C ATOM 724 OE1 GLN A 51 -10.584 15.534 -4.831 1.00 0.00 O ATOM 725 NE2 GLN A 51 -11.202 13.558 -5.700 1.00 0.00 N ATOM 0 H GLN A 51 -9.415 11.457 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.040 11.524 -4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.417 13.355 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.769 13.929 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.187 14.701 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.724 13.121 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.921 12.625 -6.001 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.177 13.847 -5.777 1.00 0.00 H new ATOM 734 N ILE A 52 -5.639 11.851 -4.203 1.00 0.00 N ATOM 735 CA ILE A 52 -4.233 11.789 -3.829 1.00 0.00 C ATOM 736 C ILE A 52 -3.504 13.072 -4.213 1.00 0.00 C ATOM 737 O ILE A 52 -3.712 13.613 -5.298 1.00 0.00 O ATOM 738 CB ILE A 52 -3.525 10.592 -4.492 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.339 9.312 -4.285 1.00 0.00 C ATOM 740 CG2 ILE A 52 -2.121 10.429 -3.931 1.00 0.00 C ATOM 741 CD1 ILE A 52 -4.026 8.228 -5.293 1.00 0.00 C ATOM 0 H ILE A 52 -5.805 11.947 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.201 11.666 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.447 10.783 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.151 8.930 -3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.401 9.553 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.634 9.579 -4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.545 11.334 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.176 10.257 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.639 7.351 -5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.241 8.592 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.972 7.959 -5.223 1.00 0.00 H new ATOM 753 N MET A 53 -2.649 13.552 -3.316 1.00 0.00 N ATOM 754 CA MET A 53 -1.887 14.771 -3.563 1.00 0.00 C ATOM 755 C MET A 53 -0.516 14.445 -4.146 1.00 0.00 C ATOM 756 O MET A 53 -0.134 14.977 -5.189 1.00 0.00 O ATOM 757 CB MET A 53 -1.728 15.570 -2.268 1.00 0.00 C ATOM 758 CG MET A 53 -3.006 16.256 -1.816 1.00 0.00 C ATOM 759 SD MET A 53 -3.285 17.827 -2.656 1.00 0.00 S ATOM 760 CE MET A 53 -4.984 17.629 -3.188 1.00 0.00 C ATOM 0 H MET A 53 -2.466 13.116 -2.412 1.00 0.00 H new ATOM 0 HA MET A 53 -2.436 15.373 -4.287 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.385 14.901 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.952 16.322 -2.408 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.853 15.595 -1.999 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.962 16.426 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.220 18.383 -3.939 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.118 16.636 -3.617 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.649 17.747 -2.333 1.00 0.00 H new ATOM 770 N GLU A 54 0.219 13.572 -3.466 1.00 0.00 N ATOM 771 CA GLU A 54 1.549 13.179 -3.918 1.00 0.00 C ATOM 772 C GLU A 54 1.823 11.713 -3.592 1.00 0.00 C ATOM 773 O GLU A 54 1.420 11.215 -2.540 1.00 0.00 O ATOM 774 CB GLU A 54 2.615 14.065 -3.271 1.00 0.00 C ATOM 775 CG GLU A 54 4.024 13.780 -3.763 1.00 0.00 C ATOM 776 CD GLU A 54 5.043 13.765 -2.639 1.00 0.00 C ATOM 777 OE1 GLU A 54 4.698 13.305 -1.531 1.00 0.00 O ATOM 778 OE2 GLU A 54 6.185 14.215 -2.870 1.00 0.00 O ATOM 0 H GLU A 54 -0.083 13.123 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 54 1.590 13.307 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.375 15.110 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.582 13.928 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.038 12.817 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.308 14.535 -4.496 1.00 0.00 H new ATOM 785 N ILE A 55 2.510 11.029 -4.500 1.00 0.00 N ATOM 786 CA ILE A 55 2.839 9.622 -4.309 1.00 0.00 C ATOM 787 C ILE A 55 4.338 9.383 -4.445 1.00 0.00 C ATOM 788 O ILE A 55 4.984 9.926 -5.343 1.00 0.00 O ATOM 789 CB ILE A 55 2.093 8.727 -5.317 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.601 9.067 -5.328 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.306 7.259 -4.981 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.223 8.139 -6.192 1.00 0.00 C ATOM 0 H ILE A 55 2.850 11.426 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 55 2.523 9.359 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 55 2.495 8.913 -6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.221 9.033 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.472 10.090 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.773 6.640 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.370 7.027 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.928 7.056 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.270 8.439 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.131 8.191 -7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.124 7.117 -5.825 1.00 0.00 H new ATOM 804 N ARG A 56 4.886 8.567 -3.552 1.00 0.00 N ATOM 805 CA ARG A 56 6.310 8.256 -3.574 1.00 0.00 C ATOM 806 C ARG A 56 6.539 6.751 -3.472 1.00 0.00 C ATOM 807 O ARG A 56 6.325 6.148 -2.420 1.00 0.00 O ATOM 808 CB ARG A 56 7.027 8.970 -2.427 1.00 0.00 C ATOM 809 CG ARG A 56 8.110 9.931 -2.889 1.00 0.00 C ATOM 810 CD ARG A 56 9.046 9.273 -3.891 1.00 0.00 C ATOM 811 NE ARG A 56 8.791 9.724 -5.257 1.00 0.00 N ATOM 812 CZ ARG A 56 8.880 10.993 -5.640 1.00 0.00 C ATOM 813 NH1 ARG A 56 9.217 11.932 -4.766 1.00 0.00 N ATOM 814 NH2 ARG A 56 8.632 11.325 -6.900 1.00 0.00 N ATOM 0 H ARG A 56 4.366 8.109 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 56 6.718 8.605 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.293 9.519 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.472 8.224 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.650 10.810 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.682 10.278 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.079 9.496 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.930 8.190 -3.839 1.00 0.00 H new ATOM 0 HE ARG A 56 8.531 9.027 -5.954 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.409 11.681 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.284 12.905 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.373 10.606 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.700 12.299 -7.194 1.00 0.00 H new ATOM 828 N VAL A 57 6.976 6.148 -4.574 1.00 0.00 N ATOM 829 CA VAL A 57 7.235 4.714 -4.609 1.00 0.00 C ATOM 830 C VAL A 57 8.714 4.417 -4.390 1.00 0.00 C ATOM 831 O VAL A 57 9.577 4.971 -5.072 1.00 0.00 O ATOM 832 CB VAL A 57 6.792 4.096 -5.949 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.376 4.531 -6.295 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.761 4.477 -7.057 1.00 0.00 C ATOM 0 H VAL A 57 7.158 6.631 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 57 6.654 4.268 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 57 6.799 3.011 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.080 4.085 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.693 4.203 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.339 5.617 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.433 4.032 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.788 5.562 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.758 4.111 -6.811 1.00 0.00 H new ATOM 844 N PHE A 58 9.001 3.538 -3.436 1.00 0.00 N ATOM 845 CA PHE A 58 10.377 3.167 -3.126 1.00 0.00 C ATOM 846 C PHE A 58 10.614 1.684 -3.393 1.00 0.00 C ATOM 847 O PHE A 58 10.552 0.847 -2.492 1.00 0.00 O ATOM 848 CB PHE A 58 10.698 3.492 -1.666 1.00 0.00 C ATOM 849 CG PHE A 58 11.034 4.937 -1.432 1.00 0.00 C ATOM 850 CD1 PHE A 58 10.056 5.914 -1.534 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.326 5.319 -1.111 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.362 7.245 -1.320 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.639 6.648 -0.896 1.00 0.00 C ATOM 854 CZ PHE A 58 11.655 7.612 -1.000 1.00 0.00 C ATOM 0 H PHE A 58 8.299 3.069 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 58 11.037 3.744 -3.773 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.844 3.221 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.536 2.875 -1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.044 5.632 -1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.099 4.569 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.591 7.997 -1.403 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.651 6.932 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.896 8.651 -0.831 1.00 0.00 H new ATOM 864 N PRO A 59 10.891 1.349 -4.662 1.00 0.00 N ATOM 865 CA PRO A 59 11.143 -0.034 -5.079 1.00 0.00 C ATOM 866 C PRO A 59 12.466 -0.568 -4.546 1.00 0.00 C ATOM 867 O PRO A 59 12.787 -1.743 -4.721 1.00 0.00 O ATOM 868 CB PRO A 59 11.179 0.057 -6.607 1.00 0.00 C ATOM 869 CG PRO A 59 11.574 1.465 -6.893 1.00 0.00 C ATOM 870 CD PRO A 59 10.981 2.294 -5.788 1.00 0.00 C ATOM 0 HA PRO A 59 10.386 -0.719 -4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.895 -0.649 -7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.207 -0.177 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.659 1.568 -6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.200 1.786 -7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.611 3.149 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.002 2.687 -6.062 1.00 0.00 H new ATOM 878 N GLU A 60 13.232 0.302 -3.893 1.00 0.00 N ATOM 879 CA GLU A 60 14.521 -0.084 -3.334 1.00 0.00 C ATOM 880 C GLU A 60 14.373 -0.539 -1.884 1.00 0.00 C ATOM 881 O GLU A 60 15.192 -1.303 -1.374 1.00 0.00 O ATOM 882 CB GLU A 60 15.508 1.082 -3.416 1.00 0.00 C ATOM 883 CG GLU A 60 16.815 0.827 -2.685 1.00 0.00 C ATOM 884 CD GLU A 60 17.753 -0.075 -3.464 1.00 0.00 C ATOM 885 OE1 GLU A 60 17.282 -1.099 -4.001 1.00 0.00 O ATOM 886 OE2 GLU A 60 18.958 0.245 -3.536 1.00 0.00 O ATOM 0 H GLU A 60 12.981 1.279 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 60 14.906 -0.918 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.723 1.292 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.038 1.974 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.310 1.779 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.603 0.374 -1.716 1.00 0.00 H new ATOM 893 N LYS A 61 13.322 -0.061 -1.226 1.00 0.00 N ATOM 894 CA LYS A 61 13.064 -0.416 0.164 1.00 0.00 C ATOM 895 C LYS A 61 11.878 -1.369 0.271 1.00 0.00 C ATOM 896 O LYS A 61 11.847 -2.243 1.136 1.00 0.00 O ATOM 897 CB LYS A 61 12.796 0.843 0.992 1.00 0.00 C ATOM 898 CG LYS A 61 13.785 1.965 0.730 1.00 0.00 C ATOM 899 CD LYS A 61 15.172 1.619 1.247 1.00 0.00 C ATOM 900 CE LYS A 61 15.275 1.829 2.749 1.00 0.00 C ATOM 901 NZ LYS A 61 16.685 1.766 3.223 1.00 0.00 N ATOM 0 H LYS A 61 12.635 0.573 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 61 13.949 -0.919 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.789 1.201 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.825 0.584 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.834 2.165 -0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.435 2.879 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.402 0.581 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.915 2.236 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.847 2.797 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.685 1.070 3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.712 1.914 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.086 0.834 2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.243 2.506 2.752 1.00 0.00 H new ATOM 915 N GLY A 62 10.903 -1.196 -0.617 1.00 0.00 N ATOM 916 CA GLY A 62 9.729 -2.048 -0.606 1.00 0.00 C ATOM 917 C GLY A 62 8.524 -1.369 0.014 1.00 0.00 C ATOM 918 O GLY A 62 7.625 -2.033 0.529 1.00 0.00 O ATOM 0 H GLY A 62 10.906 -0.480 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.489 -2.344 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.952 -2.961 -0.053 1.00 0.00 H new ATOM 922 N TYR A 63 8.506 -0.041 -0.035 1.00 0.00 N ATOM 923 CA TYR A 63 7.404 0.729 0.529 1.00 0.00 C ATOM 924 C TYR A 63 7.099 1.953 -0.331 1.00 0.00 C ATOM 925 O TYR A 63 7.865 2.301 -1.228 1.00 0.00 O ATOM 926 CB TYR A 63 7.738 1.165 1.956 1.00 0.00 C ATOM 927 CG TYR A 63 8.822 2.217 2.030 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.569 3.532 1.660 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.100 1.894 2.472 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.557 4.494 1.725 1.00 0.00 C ATOM 931 CE2 TYR A 63 11.094 2.851 2.542 1.00 0.00 C ATOM 932 CZ TYR A 63 10.818 4.149 2.168 1.00 0.00 C ATOM 933 OH TYR A 63 11.805 5.107 2.235 1.00 0.00 O ATOM 0 H TYR A 63 9.242 0.524 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 63 6.520 0.091 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.835 1.551 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.050 0.292 2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.583 3.806 1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.319 0.878 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.344 5.511 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.082 2.584 2.888 1.00 0.00 H new ATOM 0 HH TYR A 63 12.101 5.336 1.329 1.00 0.00 H new ATOM 943 N SER A 64 5.973 2.600 -0.047 1.00 0.00 N ATOM 944 CA SER A 64 5.562 3.782 -0.794 1.00 0.00 C ATOM 945 C SER A 64 4.946 4.825 0.133 1.00 0.00 C ATOM 946 O SER A 64 4.751 4.576 1.323 1.00 0.00 O ATOM 947 CB SER A 64 4.562 3.400 -1.887 1.00 0.00 C ATOM 948 OG SER A 64 4.227 4.520 -2.687 1.00 0.00 O ATOM 0 H SER A 64 5.329 2.325 0.695 1.00 0.00 H new ATOM 0 HA SER A 64 6.449 4.213 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.986 2.615 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.660 2.992 -1.432 1.00 0.00 H new ATOM 0 HG SER A 64 5.034 5.045 -2.869 1.00 0.00 H new ATOM 954 N PHE A 65 4.641 5.994 -0.420 1.00 0.00 N ATOM 955 CA PHE A 65 4.048 7.076 0.357 1.00 0.00 C ATOM 956 C PHE A 65 2.876 7.705 -0.393 1.00 0.00 C ATOM 957 O PHE A 65 3.006 8.096 -1.552 1.00 0.00 O ATOM 958 CB PHE A 65 5.098 8.143 0.671 1.00 0.00 C ATOM 959 CG PHE A 65 5.917 7.837 1.893 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.306 7.663 3.125 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.295 7.726 1.810 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.056 7.381 4.252 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.049 7.444 2.933 1.00 0.00 C ATOM 964 CZ PHE A 65 7.429 7.272 4.156 1.00 0.00 C ATOM 0 H PHE A 65 4.795 6.216 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 65 3.676 6.656 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.764 8.249 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.600 9.103 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.232 7.749 3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.785 7.861 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.568 7.246 5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.123 7.358 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.017 7.053 5.035 1.00 0.00 H new ATOM 974 N VAL A 66 1.733 7.797 0.278 1.00 0.00 N ATOM 975 CA VAL A 66 0.538 8.377 -0.322 1.00 0.00 C ATOM 976 C VAL A 66 -0.151 9.337 0.641 1.00 0.00 C ATOM 977 O VAL A 66 -0.745 8.917 1.634 1.00 0.00 O ATOM 978 CB VAL A 66 -0.463 7.287 -0.748 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.591 7.889 -1.572 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.246 6.187 -1.522 1.00 0.00 C ATOM 0 H VAL A 66 1.609 7.477 1.239 1.00 0.00 H new ATOM 0 HA VAL A 66 0.863 8.926 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.897 6.846 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.288 7.103 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.116 8.638 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.179 8.358 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.476 5.425 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.709 6.610 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.014 5.736 -0.893 1.00 0.00 H new ATOM 990 N ARG A 67 -0.067 10.630 0.341 1.00 0.00 N ATOM 991 CA ARG A 67 -0.681 11.650 1.182 1.00 0.00 C ATOM 992 C ARG A 67 -2.048 12.052 0.637 1.00 0.00 C ATOM 993 O ARG A 67 -2.168 12.489 -0.508 1.00 0.00 O ATOM 994 CB ARG A 67 0.225 12.879 1.274 1.00 0.00 C ATOM 995 CG ARG A 67 1.418 12.689 2.195 1.00 0.00 C ATOM 996 CD ARG A 67 2.555 11.965 1.491 1.00 0.00 C ATOM 997 NE ARG A 67 3.581 12.891 1.016 1.00 0.00 N ATOM 998 CZ ARG A 67 4.353 13.610 1.822 1.00 0.00 C ATOM 999 NH1 ARG A 67 4.218 13.512 3.138 1.00 0.00 N ATOM 1000 NH2 ARG A 67 5.263 14.430 1.314 1.00 0.00 N ATOM 0 H ARG A 67 0.420 10.995 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.815 11.231 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.584 13.131 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.363 13.727 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.766 13.660 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.113 12.122 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.005 11.245 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.158 11.400 0.648 1.00 0.00 H new ATOM 0 HE ARG A 67 3.711 12.990 0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.519 12.883 3.534 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.813 14.066 3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.371 14.509 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.855 14.982 1.935 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.078 11.901 1.463 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.437 12.247 1.063 1.00 0.00 C ATOM 1016 C PHE A 68 -4.770 13.683 1.454 1.00 0.00 C ATOM 1017 O PHE A 68 -4.219 14.220 2.415 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.440 11.286 1.706 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.657 10.029 0.914 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.780 8.962 1.029 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.739 9.912 0.056 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.977 7.803 0.301 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.941 8.756 -0.674 1.00 0.00 C ATOM 1024 CZ PHE A 68 -6.059 7.700 -0.551 1.00 0.00 C ATOM 0 H PHE A 68 -2.997 11.541 2.414 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.504 12.160 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.089 11.022 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.394 11.798 1.829 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.933 9.037 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.433 10.734 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.285 6.979 0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.788 8.678 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.215 6.795 -1.120 1.00 0.00 H new ATOM 1034 N SER A 69 -5.675 14.301 0.701 1.00 0.00 N ATOM 1035 CA SER A 69 -6.079 15.677 0.964 1.00 0.00 C ATOM 1036 C SER A 69 -6.916 15.763 2.237 1.00 0.00 C ATOM 1037 O SER A 69 -7.173 16.851 2.753 1.00 0.00 O ATOM 1038 CB SER A 69 -6.871 16.234 -0.220 1.00 0.00 C ATOM 1039 OG SER A 69 -8.225 15.817 -0.169 1.00 0.00 O ATOM 0 H SER A 69 -6.142 13.870 -0.097 1.00 0.00 H new ATOM 0 HA SER A 69 -5.178 16.274 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.822 17.323 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.419 15.899 -1.154 1.00 0.00 H new ATOM 0 HG SER A 69 -8.710 16.187 -0.935 1.00 0.00 H new ATOM 1045 N THR A 70 -7.338 14.607 2.739 1.00 0.00 N ATOM 1046 CA THR A 70 -8.148 14.551 3.950 1.00 0.00 C ATOM 1047 C THR A 70 -7.809 13.317 4.779 1.00 0.00 C ATOM 1048 O THR A 70 -7.409 12.284 4.241 1.00 0.00 O ATOM 1049 CB THR A 70 -9.652 14.536 3.620 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.970 13.386 2.830 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.054 15.799 2.871 1.00 0.00 C ATOM 0 H THR A 70 -7.133 13.697 2.326 1.00 0.00 H new ATOM 0 HA THR A 70 -7.920 15.448 4.526 1.00 0.00 H new ATOM 0 HB THR A 70 -10.206 14.496 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.783 12.964 3.179 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.121 15.766 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.839 16.672 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.491 15.865 1.940 1.00 0.00 H new ATOM 1059 N HIS A 71 -7.974 13.429 6.094 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.687 12.322 6.998 1.00 0.00 C ATOM 1061 C HIS A 71 -8.709 11.202 6.826 1.00 0.00 C ATOM 1062 O HIS A 71 -8.358 10.022 6.845 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.684 12.808 8.448 1.00 0.00 C ATOM 1064 CG HIS A 71 -6.857 11.957 9.362 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -7.213 11.178 10.410 1.00 0.00 N flip ATOM 1066 CD2 HIS A 71 -5.487 11.845 9.251 1.00 0.00 C flip ATOM 1067 CE1 HIS A 71 -6.065 10.613 10.907 1.00 0.00 C flip ATOM 1068 NE2 HIS A 71 -5.037 11.031 10.189 1.00 0.00 N flip ATOM 0 H HIS A 71 -8.305 14.276 6.556 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.700 11.930 6.752 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.309 13.831 8.479 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.709 12.833 8.817 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.877 12.345 8.513 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.011 9.937 11.748 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.062 10.769 10.334 1.00 0.00 H new ATOM 1076 N GLU A 72 -9.972 11.580 6.660 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.043 10.606 6.486 1.00 0.00 C ATOM 1078 C GLU A 72 -10.741 9.666 5.323 1.00 0.00 C ATOM 1079 O GLU A 72 -10.855 8.447 5.450 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.377 11.319 6.247 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.134 11.635 7.526 1.00 0.00 C ATOM 1082 CD GLU A 72 -13.923 12.927 7.432 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -13.296 13.993 7.262 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.167 12.873 7.529 1.00 0.00 O ATOM 0 H GLU A 72 -10.279 12.553 6.642 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.113 10.015 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.192 12.247 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.003 10.696 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.814 10.814 7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.428 11.704 8.354 1.00 0.00 H new ATOM 1091 N SER A 73 -10.355 10.243 4.189 1.00 0.00 N ATOM 1092 CA SER A 73 -10.041 9.458 3.001 1.00 0.00 C ATOM 1093 C SER A 73 -8.939 8.444 3.295 1.00 0.00 C ATOM 1094 O SER A 73 -9.119 7.242 3.104 1.00 0.00 O ATOM 1095 CB SER A 73 -9.611 10.376 1.855 1.00 0.00 C ATOM 1096 OG SER A 73 -10.723 11.068 1.313 1.00 0.00 O ATOM 0 H SER A 73 -10.252 11.251 4.068 1.00 0.00 H new ATOM 0 HA SER A 73 -10.940 8.917 2.706 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.873 11.093 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.129 9.788 1.074 1.00 0.00 H new ATOM 0 HG SER A 73 -10.677 12.013 1.570 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.798 8.940 3.762 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.667 8.079 4.085 1.00 0.00 C ATOM 1104 C ALA A 74 -7.097 6.918 4.976 1.00 0.00 C ATOM 1105 O ALA A 74 -6.854 5.755 4.658 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.565 8.885 4.759 1.00 0.00 C ATOM 0 H ALA A 74 -7.632 9.933 3.925 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.281 7.664 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.727 8.229 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.230 9.675 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.948 9.328 5.678 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.737 7.244 6.095 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.201 6.228 7.032 1.00 0.00 C ATOM 1114 C ALA A 75 -8.943 5.110 6.306 1.00 0.00 C ATOM 1115 O ALA A 75 -8.639 3.931 6.485 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.096 6.857 8.090 1.00 0.00 C ATOM 0 H ALA A 75 -7.946 8.203 6.374 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.329 5.793 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.436 6.088 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.536 7.616 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.959 7.319 7.609 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.920 5.489 5.487 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.705 4.518 4.734 1.00 0.00 C ATOM 1124 C HIS A 76 -9.797 3.568 3.960 1.00 0.00 C ATOM 1125 O HIS A 76 -9.904 2.349 4.089 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.654 5.234 3.772 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.770 5.959 4.458 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.202 7.236 4.338 1.00 0.00 N flip ATOM 1129 CD2 HIS A 76 -13.585 5.367 5.400 1.00 0.00 C flip ATOM 1130 CE1 HIS A 76 -14.261 7.390 5.199 1.00 0.00 C flip ATOM 1131 NE2 HIS A 76 -14.472 6.248 5.827 1.00 0.00 N flip ATOM 0 H HIS A 76 -10.186 6.461 5.329 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.292 3.934 5.443 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.084 5.945 3.174 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -12.077 4.504 3.082 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.510 4.343 5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -14.829 8.298 5.339 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.197 6.075 6.524 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.904 4.134 3.154 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.977 3.338 2.360 1.00 0.00 C ATOM 1141 C ALA A 77 -7.087 2.481 3.253 1.00 0.00 C ATOM 1142 O ALA A 77 -6.712 1.367 2.884 1.00 0.00 O ATOM 1143 CB ALA A 77 -7.129 4.241 1.476 1.00 0.00 C ATOM 0 H ALA A 77 -8.803 5.142 3.034 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.560 2.671 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.441 3.633 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.777 4.806 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.561 4.931 2.100 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.753 3.006 4.426 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.906 2.287 5.371 1.00 0.00 C ATOM 1151 C ILE A 78 -6.633 1.078 5.952 1.00 0.00 C ATOM 1152 O ILE A 78 -6.213 -0.063 5.762 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.448 3.199 6.523 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.434 4.227 6.018 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.852 2.370 7.651 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -4.073 5.276 7.046 1.00 0.00 C ATOM 0 H ILE A 78 -7.055 3.926 4.746 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.031 1.949 4.816 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.316 3.733 6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.527 3.708 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.839 4.720 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.533 3.030 8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.602 1.674 8.026 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.993 1.812 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.350 5.971 6.618 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.970 5.821 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.638 4.793 7.921 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.729 1.338 6.659 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.517 0.272 7.265 1.00 0.00 C ATOM 1170 C VAL A 79 -8.735 -0.875 6.286 1.00 0.00 C ATOM 1171 O VAL A 79 -8.795 -2.040 6.681 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.886 0.790 7.744 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.713 1.767 8.897 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.643 1.436 6.595 1.00 0.00 C ATOM 0 H VAL A 79 -8.091 2.277 6.826 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.952 -0.090 8.124 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.471 -0.057 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.691 2.123 9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.215 1.266 9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.110 2.614 8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.608 1.796 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.065 2.273 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.799 0.702 5.804 1.00 0.00 H new ATOM 1184 N SER A 80 -8.852 -0.540 5.005 1.00 0.00 N ATOM 1185 CA SER A 80 -9.066 -1.542 3.968 1.00 0.00 C ATOM 1186 C SER A 80 -7.736 -2.092 3.461 1.00 0.00 C ATOM 1187 O SER A 80 -7.388 -3.243 3.723 1.00 0.00 O ATOM 1188 CB SER A 80 -9.859 -0.941 2.804 1.00 0.00 C ATOM 1189 OG SER A 80 -10.677 -1.919 2.186 1.00 0.00 O ATOM 0 H SER A 80 -8.802 0.419 4.660 1.00 0.00 H new ATOM 0 HA SER A 80 -9.637 -2.363 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.478 -0.121 3.167 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.171 -0.521 2.070 1.00 0.00 H new ATOM 0 HG SER A 80 -11.174 -1.510 1.447 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.996 -1.261 2.734 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.706 -1.663 2.190 1.00 0.00 C ATOM 1197 C VAL A 81 -4.834 -2.308 3.263 1.00 0.00 C ATOM 1198 O VAL A 81 -3.871 -3.009 2.956 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.952 -0.463 1.586 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.559 -0.878 1.137 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.740 0.131 0.429 1.00 0.00 C ATOM 0 H VAL A 81 -7.269 -0.304 2.508 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.908 -2.390 1.403 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.846 0.302 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.042 -0.017 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.998 -1.253 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.638 -1.661 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.194 0.978 0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.879 -0.626 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.713 0.467 0.786 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.181 -2.064 4.524 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.430 -2.621 5.643 1.00 0.00 C ATOM 1213 C ASN A 82 -4.704 -4.115 5.793 1.00 0.00 C ATOM 1214 O ASN A 82 -5.492 -4.530 6.641 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.791 -1.892 6.939 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.132 -2.514 8.155 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -4.882 -2.617 9.247 1.00 0.00 O flip ATOM 1218 ND2 ASN A 82 -2.963 -2.897 8.113 1.00 0.00 N flip ATOM 0 H ASN A 82 -5.976 -1.485 4.795 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.368 -2.484 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.490 -0.847 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.873 -1.903 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.425 -2.798 7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.533 -3.313 8.939 1.00 0.00 H new ATOM 1225 N GLY A 83 -4.046 -4.918 4.962 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.232 -6.356 5.018 1.00 0.00 C ATOM 1227 C GLY A 83 -4.608 -6.945 3.674 1.00 0.00 C ATOM 1228 O GLY A 83 -5.050 -8.092 3.591 1.00 0.00 O ATOM 0 H GLY A 83 -3.388 -4.598 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.314 -6.824 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.010 -6.590 5.744 1.00 0.00 H new ATOM 1232 N THR A 84 -4.434 -6.159 2.616 1.00 0.00 N ATOM 1233 CA THR A 84 -4.761 -6.609 1.268 1.00 0.00 C ATOM 1234 C THR A 84 -3.558 -7.264 0.600 1.00 0.00 C ATOM 1235 O THR A 84 -2.454 -7.264 1.146 1.00 0.00 O ATOM 1236 CB THR A 84 -5.249 -5.440 0.390 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.316 -4.356 0.455 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.622 -4.963 0.839 1.00 0.00 C ATOM 0 H THR A 84 -4.069 -5.208 2.666 1.00 0.00 H new ATOM 0 HA THR A 84 -5.562 -7.342 1.364 1.00 0.00 H new ATOM 0 HB THR A 84 -5.323 -5.793 -0.639 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.386 -3.916 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.946 -4.138 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.336 -5.783 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.570 -4.626 1.874 1.00 0.00 H new ATOM 1246 N THR A 85 -3.778 -7.822 -0.587 1.00 0.00 N ATOM 1247 CA THR A 85 -2.711 -8.482 -1.329 1.00 0.00 C ATOM 1248 C THR A 85 -2.664 -7.995 -2.774 1.00 0.00 C ATOM 1249 O THR A 85 -3.561 -8.287 -3.565 1.00 0.00 O ATOM 1250 CB THR A 85 -2.884 -10.012 -1.321 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.997 -10.485 0.026 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.709 -10.694 -2.004 1.00 0.00 C ATOM 0 H THR A 85 -4.685 -7.830 -1.054 1.00 0.00 H new ATOM 0 HA THR A 85 -1.775 -8.227 -0.831 1.00 0.00 H new ATOM 0 HB THR A 85 -3.794 -10.255 -1.870 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.108 -11.459 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.854 -11.774 -1.986 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.642 -10.354 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.787 -10.443 -1.479 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.614 -7.254 -3.110 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.451 -6.729 -4.460 1.00 0.00 C ATOM 1262 C ILE A 86 -0.292 -7.410 -5.178 1.00 0.00 C ATOM 1263 O ILE A 86 0.855 -7.333 -4.737 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.210 -5.208 -4.448 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.441 -4.479 -3.902 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.872 -4.714 -5.846 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -2.173 -3.038 -3.528 1.00 0.00 C ATOM 0 H ILE A 86 -0.863 -7.004 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.379 -6.937 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.364 -4.994 -3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.233 -4.511 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.809 -5.011 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.705 -3.637 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.030 -5.213 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.699 -4.937 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.089 -2.584 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.403 -2.999 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.834 -2.491 -4.408 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.598 -8.075 -6.288 1.00 0.00 N ATOM 1280 CA GLU A 87 0.421 -8.769 -7.068 1.00 0.00 C ATOM 1281 C GLU A 87 1.100 -9.851 -6.234 1.00 0.00 C ATOM 1282 O GLU A 87 2.315 -10.031 -6.305 1.00 0.00 O ATOM 1283 CB GLU A 87 1.463 -7.776 -7.584 1.00 0.00 C ATOM 1284 CG GLU A 87 0.893 -6.728 -8.526 1.00 0.00 C ATOM 1285 CD GLU A 87 1.015 -7.128 -9.984 1.00 0.00 C ATOM 1286 OE1 GLU A 87 1.912 -7.936 -10.304 1.00 0.00 O ATOM 1287 OE2 GLU A 87 0.216 -6.631 -10.804 1.00 0.00 O ATOM 0 H GLU A 87 -1.542 -8.148 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.068 -9.244 -7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.926 -7.275 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.251 -8.325 -8.099 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.157 -6.561 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.411 -5.782 -8.368 1.00 0.00 H new ATOM 1294 N GLY A 88 0.307 -10.568 -5.443 1.00 0.00 N ATOM 1295 CA GLY A 88 0.850 -11.622 -4.607 1.00 0.00 C ATOM 1296 C GLY A 88 1.752 -11.087 -3.513 1.00 0.00 C ATOM 1297 O GLY A 88 2.556 -11.827 -2.944 1.00 0.00 O ATOM 0 H GLY A 88 -0.702 -10.437 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.031 -12.183 -4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.411 -12.321 -5.227 1.00 0.00 H new ATOM 1301 N HIS A 89 1.622 -9.797 -3.217 1.00 0.00 N ATOM 1302 CA HIS A 89 2.433 -9.164 -2.184 1.00 0.00 C ATOM 1303 C HIS A 89 1.552 -8.474 -1.148 1.00 0.00 C ATOM 1304 O HIS A 89 0.735 -7.617 -1.483 1.00 0.00 O ATOM 1305 CB HIS A 89 3.393 -8.150 -2.809 1.00 0.00 C ATOM 1306 CG HIS A 89 4.398 -8.768 -3.732 1.00 0.00 C ATOM 1307 ND1 HIS A 89 4.439 -8.829 -5.084 1.00 0.00 N flip ATOM 1308 CD2 HIS A 89 5.527 -9.423 -3.286 1.00 0.00 C flip ATOM 1309 CE1 HIS A 89 5.581 -9.511 -5.426 1.00 0.00 C flip ATOM 1310 NE2 HIS A 89 6.219 -9.859 -4.324 1.00 0.00 N flip ATOM 0 H HIS A 89 0.963 -9.170 -3.678 1.00 0.00 H new ATOM 0 HA HIS A 89 3.011 -9.941 -1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.816 -7.406 -3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.919 -7.621 -2.014 1.00 0.00 H new ATOM 0 HD1 HIS A 89 3.750 -8.441 -5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.802 -9.558 -2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.905 -9.728 -6.433 1.00 0.00 H new ATOM 1318 N VAL A 90 1.723 -8.855 0.115 1.00 0.00 N ATOM 1319 CA VAL A 90 0.943 -8.274 1.202 1.00 0.00 C ATOM 1320 C VAL A 90 1.359 -6.830 1.465 1.00 0.00 C ATOM 1321 O VAL A 90 2.493 -6.562 1.859 1.00 0.00 O ATOM 1322 CB VAL A 90 1.098 -9.086 2.501 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.554 -9.123 2.937 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.218 -8.507 3.599 1.00 0.00 C ATOM 0 H VAL A 90 2.395 -9.563 0.410 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.101 -8.298 0.891 1.00 0.00 H new ATOM 0 HB VAL A 90 0.775 -10.109 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.644 -9.701 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.156 -9.588 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.908 -8.107 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.340 -9.093 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.508 -7.474 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.825 -8.539 3.284 1.00 0.00 H new ATOM 1334 N VAL A 91 0.431 -5.904 1.244 1.00 0.00 N ATOM 1335 CA VAL A 91 0.700 -4.487 1.459 1.00 0.00 C ATOM 1336 C VAL A 91 0.378 -4.078 2.893 1.00 0.00 C ATOM 1337 O VAL A 91 -0.454 -4.698 3.555 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.114 -3.608 0.491 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.230 -3.945 -0.952 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.604 -3.775 0.746 1.00 0.00 C ATOM 0 H VAL A 91 -0.513 -6.109 0.916 1.00 0.00 H new ATOM 0 HA VAL A 91 1.763 -4.334 1.270 1.00 0.00 H new ATOM 0 HB VAL A 91 0.146 -2.564 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.354 -3.314 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.292 -3.770 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.001 -4.992 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.164 -3.147 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.884 -4.818 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.833 -3.480 1.770 1.00 0.00 H new ATOM 1350 N LYS A 92 1.043 -3.030 3.366 1.00 0.00 N ATOM 1351 CA LYS A 92 0.828 -2.535 4.720 1.00 0.00 C ATOM 1352 C LYS A 92 0.490 -1.047 4.709 1.00 0.00 C ATOM 1353 O LYS A 92 1.317 -0.216 4.330 1.00 0.00 O ATOM 1354 CB LYS A 92 2.070 -2.780 5.578 1.00 0.00 C ATOM 1355 CG LYS A 92 1.968 -4.012 6.461 1.00 0.00 C ATOM 1356 CD LYS A 92 3.288 -4.319 7.148 1.00 0.00 C ATOM 1357 CE LYS A 92 3.320 -5.742 7.684 1.00 0.00 C ATOM 1358 NZ LYS A 92 4.175 -6.630 6.849 1.00 0.00 N ATOM 0 H LYS A 92 1.736 -2.507 2.831 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.015 -3.078 5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.937 -2.882 4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.245 -1.907 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.193 -3.859 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.663 -4.868 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.108 -4.176 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.445 -3.617 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.694 -5.736 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.306 -6.141 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.171 -7.591 7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.804 -6.656 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.149 -6.264 6.838 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.726 -0.718 5.127 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.173 0.669 5.166 1.00 0.00 C ATOM 1374 C CYS A 93 -1.038 1.245 6.572 1.00 0.00 C ATOM 1375 O CYS A 93 -1.652 0.750 7.518 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.625 0.774 4.695 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.842 1.738 3.181 1.00 0.00 S ATOM 0 H CYS A 93 -1.421 -1.394 5.444 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.539 1.247 4.494 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -3.017 -0.230 4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.221 1.224 5.488 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.624 2.749 3.419 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.232 2.292 6.702 1.00 0.00 N ATOM 1384 CA TYR A 94 -0.013 2.934 7.994 1.00 0.00 C ATOM 1385 C TYR A 94 -0.077 4.452 7.866 1.00 0.00 C ATOM 1386 O TYR A 94 -0.313 4.985 6.782 1.00 0.00 O ATOM 1387 CB TYR A 94 1.339 2.515 8.571 1.00 0.00 C ATOM 1388 CG TYR A 94 1.456 1.030 8.828 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.529 0.368 9.626 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.490 0.288 8.272 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.632 -0.989 9.863 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.599 -1.070 8.503 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.668 -1.704 9.300 1.00 0.00 C ATOM 1394 OH TYR A 94 1.773 -3.056 9.533 1.00 0.00 O ATOM 0 H TYR A 94 0.281 2.715 5.929 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.805 2.612 8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.128 2.819 7.883 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.507 3.051 9.505 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.285 0.924 10.068 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.221 0.781 7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.095 -1.488 10.486 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.409 -1.632 8.062 1.00 0.00 H new ATOM 0 HH TYR A 94 0.880 -3.434 9.672 1.00 0.00 H new ATOM 1404 N TRP A 95 0.136 5.142 8.980 1.00 0.00 N ATOM 1405 CA TRP A 95 0.103 6.601 8.995 1.00 0.00 C ATOM 1406 C TRP A 95 1.504 7.178 8.815 1.00 0.00 C ATOM 1407 O TRP A 95 2.276 7.265 9.770 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.506 7.105 10.303 1.00 0.00 C ATOM 1409 CG TRP A 95 -1.999 6.982 10.349 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.730 6.182 11.181 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.942 7.679 9.528 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.071 6.341 10.926 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.227 7.254 9.917 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.825 8.623 8.504 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.385 7.740 9.316 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.976 9.104 7.908 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.242 8.663 8.315 1.00 0.00 C ATOM 0 H TRP A 95 0.334 4.715 9.885 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.517 6.935 8.163 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.077 6.546 11.134 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.230 8.150 10.445 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.315 5.522 11.929 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.828 5.857 11.410 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.854 8.970 8.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.362 7.401 9.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.898 9.833 7.115 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.122 9.059 7.830 1.00 0.00 H new ATOM 1428 N GLY A 96 1.825 7.571 7.587 1.00 0.00 N ATOM 1429 CA GLY A 96 3.132 8.136 7.306 1.00 0.00 C ATOM 1430 C GLY A 96 3.667 8.960 8.460 1.00 0.00 C ATOM 1431 O GLY A 96 4.483 8.483 9.249 1.00 0.00 O ATOM 0 H GLY A 96 1.203 7.508 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.832 7.331 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.070 8.761 6.415 1.00 0.00 H new ATOM 1435 N LYS A 97 3.208 10.203 8.559 1.00 0.00 N ATOM 1436 CA LYS A 97 3.646 11.098 9.624 1.00 0.00 C ATOM 1437 C LYS A 97 5.151 10.984 9.847 1.00 0.00 C ATOM 1438 O LYS A 97 5.612 10.875 10.982 1.00 0.00 O ATOM 1439 CB LYS A 97 2.902 10.780 10.923 1.00 0.00 C ATOM 1440 CG LYS A 97 2.881 11.934 11.910 1.00 0.00 C ATOM 1441 CD LYS A 97 3.389 11.508 13.277 1.00 0.00 C ATOM 1442 CE LYS A 97 3.109 12.567 14.332 1.00 0.00 C ATOM 1443 NZ LYS A 97 4.275 12.776 15.234 1.00 0.00 N ATOM 0 H LYS A 97 2.533 10.614 7.914 1.00 0.00 H new ATOM 0 HA LYS A 97 3.418 12.120 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.876 10.498 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.368 9.916 11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.496 12.750 11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.865 12.317 12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.914 10.570 13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.461 11.320 13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.855 13.508 13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.242 12.271 14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.043 13.505 15.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.502 11.885 15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.096 13.084 14.675 1.00 0.00 H new ATOM 1457 N GLU A 98 5.909 11.012 8.755 1.00 0.00 N ATOM 1458 CA GLU A 98 7.363 10.913 8.833 1.00 0.00 C ATOM 1459 C GLU A 98 7.973 12.230 9.303 1.00 0.00 C ATOM 1460 O GLU A 98 8.980 12.242 10.011 1.00 0.00 O ATOM 1461 CB GLU A 98 7.943 10.526 7.472 1.00 0.00 C ATOM 1462 CG GLU A 98 8.084 9.026 7.274 1.00 0.00 C ATOM 1463 CD GLU A 98 9.491 8.619 6.881 1.00 0.00 C ATOM 1464 OE1 GLU A 98 9.997 9.141 5.866 1.00 0.00 O ATOM 1465 OE2 GLU A 98 10.085 7.779 7.588 1.00 0.00 O ATOM 0 H GLU A 98 5.542 11.102 7.808 1.00 0.00 H new ATOM 0 HA GLU A 98 7.611 10.139 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.304 10.929 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.921 10.993 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.806 8.514 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.386 8.698 6.504 1.00 0.00 H new ATOM 1472 N SER A 99 7.356 13.337 8.903 1.00 0.00 N ATOM 1473 CA SER A 99 7.841 14.660 9.280 1.00 0.00 C ATOM 1474 C SER A 99 7.792 14.846 10.793 1.00 0.00 C ATOM 1475 O SER A 99 6.805 14.520 11.454 1.00 0.00 O ATOM 1476 CB SER A 99 7.008 15.746 8.594 1.00 0.00 C ATOM 1477 OG SER A 99 5.658 15.698 9.020 1.00 0.00 O ATOM 0 H SER A 99 6.520 13.345 8.319 1.00 0.00 H new ATOM 0 HA SER A 99 8.878 14.746 8.954 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.428 16.727 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.056 15.617 7.513 1.00 0.00 H new ATOM 0 HG SER A 99 5.616 15.354 9.937 1.00 0.00 H new ATOM 1483 N PRO A 100 8.884 15.385 11.357 1.00 0.00 N ATOM 1484 CA PRO A 100 8.991 15.627 12.799 1.00 0.00 C ATOM 1485 C PRO A 100 8.074 16.752 13.268 1.00 0.00 C ATOM 1486 O PRO A 100 7.855 16.930 14.465 1.00 0.00 O ATOM 1487 CB PRO A 100 10.458 16.023 12.984 1.00 0.00 C ATOM 1488 CG PRO A 100 10.872 16.571 11.662 1.00 0.00 C ATOM 1489 CD PRO A 100 10.096 15.799 10.631 1.00 0.00 C ATOM 0 HA PRO A 100 8.693 14.755 13.381 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.571 16.766 13.773 1.00 0.00 H new ATOM 0 HB3 PRO A 100 11.068 15.164 13.265 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.655 17.637 11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.945 16.455 11.510 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.855 16.415 9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 100 10.658 14.940 10.265 1.00 0.00 H new ATOM 1497 N ASP A 101 7.540 17.509 12.316 1.00 0.00 N ATOM 1498 CA ASP A 101 6.645 18.617 12.631 1.00 0.00 C ATOM 1499 C ASP A 101 5.689 18.238 13.757 1.00 0.00 C ATOM 1500 O ASP A 101 4.689 17.557 13.533 1.00 0.00 O ATOM 1501 CB ASP A 101 5.853 19.029 11.389 1.00 0.00 C ATOM 1502 CG ASP A 101 6.717 19.093 10.145 1.00 0.00 C ATOM 1503 OD1 ASP A 101 7.954 19.196 10.286 1.00 0.00 O ATOM 1504 OD2 ASP A 101 6.156 19.040 9.031 1.00 0.00 O ATOM 0 H ASP A 101 7.711 17.376 11.319 1.00 0.00 H new ATOM 0 HA ASP A 101 7.251 19.460 12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.041 18.320 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.395 20.003 11.560 1.00 0.00 H new ATOM 1509 N MET A 102 6.003 18.685 14.969 1.00 0.00 N ATOM 1510 CA MET A 102 5.173 18.393 16.131 1.00 0.00 C ATOM 1511 C MET A 102 4.542 19.668 16.683 1.00 0.00 C ATOM 1512 O MET A 102 5.187 20.715 16.745 1.00 0.00 O ATOM 1513 CB MET A 102 6.001 17.708 17.219 1.00 0.00 C ATOM 1514 CG MET A 102 5.170 17.192 18.381 1.00 0.00 C ATOM 1515 SD MET A 102 5.666 17.907 19.962 1.00 0.00 S ATOM 1516 CE MET A 102 6.832 16.676 20.538 1.00 0.00 C ATOM 0 H MET A 102 6.827 19.251 15.171 1.00 0.00 H new ATOM 0 HA MET A 102 4.375 17.721 15.815 1.00 0.00 H new ATOM 0 HB2 MET A 102 6.549 16.876 16.777 1.00 0.00 H new ATOM 0 HB3 MET A 102 6.742 18.412 17.597 1.00 0.00 H new ATOM 0 HG2 MET A 102 4.119 17.416 18.199 1.00 0.00 H new ATOM 0 HG3 MET A 102 5.260 16.107 18.433 1.00 0.00 H new ATOM 0 HE1 MET A 102 7.228 16.976 21.508 1.00 0.00 H new ATOM 0 HE2 MET A 102 6.328 15.714 20.633 1.00 0.00 H new ATOM 0 HE3 MET A 102 7.650 16.588 19.824 1.00 0.00 H new ATOM 1526 N THR A 103 3.277 19.573 17.081 1.00 0.00 N ATOM 1527 CA THR A 103 2.560 20.719 17.626 1.00 0.00 C ATOM 1528 C THR A 103 1.266 20.285 18.306 1.00 0.00 C ATOM 1529 O THR A 103 0.671 19.273 17.939 1.00 0.00 O ATOM 1530 CB THR A 103 2.230 21.749 16.530 1.00 0.00 C ATOM 1531 OG1 THR A 103 1.580 22.887 17.105 1.00 0.00 O ATOM 1532 CG2 THR A 103 1.337 21.134 15.462 1.00 0.00 C ATOM 0 H THR A 103 2.728 18.714 17.036 1.00 0.00 H new ATOM 0 HA THR A 103 3.217 21.182 18.362 1.00 0.00 H new ATOM 0 HB THR A 103 3.164 22.063 16.065 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.376 23.537 16.401 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.117 21.880 14.698 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.847 20.286 15.005 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.406 20.795 15.917 1.00 0.00 H new ATOM 1540 N SER A 104 0.837 21.058 19.298 1.00 0.00 N ATOM 1541 CA SER A 104 -0.386 20.751 20.031 1.00 0.00 C ATOM 1542 C SER A 104 -1.350 21.933 19.998 1.00 0.00 C ATOM 1543 O SER A 104 -1.041 23.015 20.495 1.00 0.00 O ATOM 1544 CB SER A 104 -0.058 20.386 21.480 1.00 0.00 C ATOM 1545 OG SER A 104 -0.226 18.997 21.706 1.00 0.00 O ATOM 0 H SER A 104 1.317 21.901 19.613 1.00 0.00 H new ATOM 0 HA SER A 104 -0.866 19.900 19.549 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.969 20.673 21.707 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.703 20.948 22.155 1.00 0.00 H new ATOM 0 HG SER A 104 -0.009 18.789 22.639 1.00 0.00 H new ATOM 1551 N GLY A 105 -2.522 21.716 19.408 1.00 0.00 N ATOM 1552 CA GLY A 105 -3.515 22.770 19.321 1.00 0.00 C ATOM 1553 C GLY A 105 -4.851 22.269 18.809 1.00 0.00 C ATOM 1554 O GLY A 105 -5.154 22.349 17.619 1.00 0.00 O ATOM 0 H GLY A 105 -2.801 20.829 18.989 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.652 23.218 20.305 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.148 23.556 18.661 1.00 0.00 H new ATOM 1558 N PRO A 106 -5.675 21.736 19.723 1.00 0.00 N ATOM 1559 CA PRO A 106 -7.000 21.207 19.381 1.00 0.00 C ATOM 1560 C PRO A 106 -7.981 22.307 18.995 1.00 0.00 C ATOM 1561 O PRO A 106 -7.660 23.494 19.069 1.00 0.00 O ATOM 1562 CB PRO A 106 -7.450 20.517 20.672 1.00 0.00 C ATOM 1563 CG PRO A 106 -6.704 21.216 21.754 1.00 0.00 C ATOM 1564 CD PRO A 106 -5.379 21.608 21.160 1.00 0.00 C ATOM 0 HA PRO A 106 -6.964 20.543 18.517 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.527 20.605 20.813 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.217 19.452 20.654 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.251 22.093 22.101 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.567 20.564 22.617 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.012 22.544 21.580 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.615 20.853 21.347 1.00 0.00 H new ATOM 1572 N SER A 107 -9.180 21.907 18.582 1.00 0.00 N ATOM 1573 CA SER A 107 -10.208 22.860 18.181 1.00 0.00 C ATOM 1574 C SER A 107 -11.600 22.254 18.332 1.00 0.00 C ATOM 1575 O SER A 107 -12.443 22.781 19.057 1.00 0.00 O ATOM 1576 CB SER A 107 -9.986 23.302 16.734 1.00 0.00 C ATOM 1577 OG SER A 107 -11.145 23.925 16.207 1.00 0.00 O ATOM 0 H SER A 107 -9.463 20.929 18.516 1.00 0.00 H new ATOM 0 HA SER A 107 -10.137 23.730 18.834 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.145 23.993 16.687 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.724 22.438 16.123 1.00 0.00 H new ATOM 0 HG SER A 107 -10.977 24.200 15.281 1.00 0.00 H new ATOM 1583 N SER A 108 -11.832 21.142 17.643 1.00 0.00 N ATOM 1584 CA SER A 108 -13.122 20.465 17.695 1.00 0.00 C ATOM 1585 C SER A 108 -12.938 18.956 17.830 1.00 0.00 C ATOM 1586 O SER A 108 -11.817 18.451 17.808 1.00 0.00 O ATOM 1587 CB SER A 108 -13.940 20.781 16.442 1.00 0.00 C ATOM 1588 OG SER A 108 -13.406 20.123 15.306 1.00 0.00 O ATOM 0 H SER A 108 -11.143 20.690 17.042 1.00 0.00 H new ATOM 0 HA SER A 108 -13.660 20.828 18.571 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.975 20.473 16.592 1.00 0.00 H new ATOM 0 HB3 SER A 108 -13.949 21.858 16.272 1.00 0.00 H new ATOM 0 HG SER A 108 -13.947 20.339 14.518 1.00 0.00 H new ATOM 1594 N GLY A 109 -14.051 18.241 17.970 1.00 0.00 N ATOM 1595 CA GLY A 109 -13.992 16.797 18.106 1.00 0.00 C ATOM 1596 C GLY A 109 -12.826 16.342 18.962 1.00 0.00 C ATOM 1597 O GLY A 109 -12.491 16.985 19.958 1.00 0.00 O ATOM 0 H GLY A 109 -14.991 18.636 17.992 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.923 16.438 18.545 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.911 16.345 17.117 1.00 0.00 H new TER 1601 GLY A 109