USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 820 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 3 GLN : amide:sc= -1.78 K(o=-3.7,f=-5.3!) USER MOD Set 1.2: A 66 TYR OH : rot 180:sc= -1.88 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0311 (180deg=-0.434) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= -1.52! (180deg=-2.31!) USER MOD Single : A 9 SER OG : rot 19:sc= -0.66! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -117:sc= -1.32 (180deg=-3.51!) USER MOD Single : A 14 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.75) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -1.29 (180deg=-2.12) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -3.38! C(o=-3.4!,f=-7.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.186 (180deg=-1.18) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.877 F(o=-4.6!,f=-0.88) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -1.32 (180deg=-1.99!) USER MOD Single : A 36 ASN : amide:sc= -0.516! C(o=-0.52!,f=-8.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -3.54! C(o=-4.1!,f=-3.5!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 50 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.682! C(o=-2.1!,f=-0.68!) USER MOD Single : A 55 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.5) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 60 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.8!) USER MOD Single : A 64 SER OG : rot 170:sc= -0.0706 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 44:sc= 0.763 USER MOD Single : A 73 ASN : amide:sc= -2.61! C(o=-2.6!,f=-8.9!) USER MOD Single : A 76 ASN : amide:sc= -4.02! C(o=-4!,f=-3.8!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc=-0.00817 X(o=-0.0082,f=-0.05) USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= -1.33 (180deg=-2.54!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.944! C(o=-7.6!,f=-0.94!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0792 USER MOD Single : A 94 THR OG1 : rot 53:sc= -0.131 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0268 K(o=-0.027,f=-1.8!) USER MOD Single : A 98 ASN : amide:sc= -1.03! C(o=-1!,f=-4.5!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.285 15.176 -5.808 1.00 0.00 N ATOM 2 CA MET A 1 -9.386 15.438 -4.839 1.00 0.00 C ATOM 3 C MET A 1 -9.909 14.110 -4.297 1.00 0.00 C ATOM 4 O MET A 1 -9.784 13.825 -3.108 1.00 0.00 O ATOM 5 CB MET A 1 -10.513 16.197 -5.544 1.00 0.00 C ATOM 6 CG MET A 1 -10.070 17.636 -5.810 1.00 0.00 C ATOM 7 SD MET A 1 -11.214 18.416 -6.977 1.00 0.00 S ATOM 8 CE MET A 1 -10.210 18.195 -8.468 1.00 0.00 C ATOM 0 H1 MET A 1 -7.670 16.012 -5.869 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.727 14.359 -5.487 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.688 14.973 -6.745 1.00 0.00 H new ATOM 0 HA MET A 1 -9.014 16.041 -4.011 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.766 15.704 -6.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.412 16.190 -4.927 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.046 18.199 -4.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.058 17.647 -6.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.736 18.613 -9.326 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.256 18.707 -8.343 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.033 17.132 -8.633 1.00 0.00 H new ATOM 18 N GLU A 2 -10.492 13.302 -5.177 1.00 0.00 N ATOM 19 CA GLU A 2 -11.026 12.006 -4.774 1.00 0.00 C ATOM 20 C GLU A 2 -9.943 10.933 -4.859 1.00 0.00 C ATOM 21 O GLU A 2 -10.039 9.888 -4.218 1.00 0.00 O ATOM 22 CB GLU A 2 -12.206 11.620 -5.673 1.00 0.00 C ATOM 23 CG GLU A 2 -11.909 12.029 -7.119 1.00 0.00 C ATOM 24 CD GLU A 2 -12.191 13.517 -7.317 1.00 0.00 C ATOM 25 OE1 GLU A 2 -11.879 14.021 -8.382 1.00 0.00 O ATOM 26 OE2 GLU A 2 -12.713 14.130 -6.400 1.00 0.00 O ATOM 0 H GLU A 2 -10.606 13.520 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.369 12.080 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.382 10.546 -5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.116 12.110 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.868 11.814 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.521 11.442 -7.803 1.00 0.00 H new ATOM 33 N GLN A 3 -8.913 11.205 -5.655 1.00 0.00 N ATOM 34 CA GLN A 3 -7.811 10.265 -5.827 1.00 0.00 C ATOM 35 C GLN A 3 -7.435 9.617 -4.501 1.00 0.00 C ATOM 36 O GLN A 3 -7.766 8.459 -4.249 1.00 0.00 O ATOM 37 CB GLN A 3 -6.598 11.002 -6.400 1.00 0.00 C ATOM 38 CG GLN A 3 -5.594 9.991 -6.959 1.00 0.00 C ATOM 39 CD GLN A 3 -6.085 9.448 -8.297 1.00 0.00 C ATOM 40 OE1 GLN A 3 -5.915 8.264 -8.588 1.00 0.00 O ATOM 41 NE2 GLN A 3 -6.687 10.248 -9.134 1.00 0.00 N ATOM 0 H GLN A 3 -8.819 12.068 -6.190 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.129 9.481 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.915 11.687 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.127 11.605 -5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.621 10.465 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.460 9.172 -6.253 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.827 11.229 -8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.018 9.893 -10.031 1.00 0.00 H new ATOM 50 N PHE A 4 -6.744 10.371 -3.655 1.00 0.00 N ATOM 51 CA PHE A 4 -6.334 9.853 -2.355 1.00 0.00 C ATOM 52 C PHE A 4 -7.503 9.130 -1.696 1.00 0.00 C ATOM 53 O PHE A 4 -7.345 8.030 -1.166 1.00 0.00 O ATOM 54 CB PHE A 4 -5.829 10.998 -1.463 1.00 0.00 C ATOM 55 CG PHE A 4 -6.958 11.541 -0.616 1.00 0.00 C ATOM 56 CD1 PHE A 4 -7.025 11.219 0.744 1.00 0.00 C ATOM 57 CD2 PHE A 4 -7.933 12.366 -1.189 1.00 0.00 C ATOM 58 CE1 PHE A 4 -8.068 11.721 1.532 1.00 0.00 C ATOM 59 CE2 PHE A 4 -8.976 12.868 -0.401 1.00 0.00 C ATOM 60 CZ PHE A 4 -9.044 12.545 0.959 1.00 0.00 C ATOM 0 H PHE A 4 -6.458 11.332 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.518 9.143 -2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.024 10.640 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.414 11.794 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.272 10.583 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.881 12.615 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.119 11.473 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.728 13.505 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.849 12.931 1.566 1.00 0.00 H new ATOM 70 N ASN A 5 -8.679 9.743 -1.746 1.00 0.00 N ATOM 71 CA ASN A 5 -9.864 9.131 -1.162 1.00 0.00 C ATOM 72 C ASN A 5 -10.153 7.797 -1.845 1.00 0.00 C ATOM 73 O ASN A 5 -10.738 6.895 -1.246 1.00 0.00 O ATOM 74 CB ASN A 5 -11.068 10.065 -1.321 1.00 0.00 C ATOM 75 CG ASN A 5 -12.157 9.687 -0.321 1.00 0.00 C ATOM 76 OD1 ASN A 5 -11.983 9.863 0.884 1.00 0.00 O ATOM 77 ND2 ASN A 5 -13.278 9.178 -0.754 1.00 0.00 N ATOM 0 H ASN A 5 -8.837 10.653 -2.180 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.684 8.957 -0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.760 11.099 -1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.457 10.000 -2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.012 8.925 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.420 9.033 -1.754 1.00 0.00 H new ATOM 84 N ALA A 6 -9.741 7.682 -3.107 1.00 0.00 N ATOM 85 CA ALA A 6 -9.963 6.457 -3.867 1.00 0.00 C ATOM 86 C ALA A 6 -8.884 5.422 -3.556 1.00 0.00 C ATOM 87 O ALA A 6 -9.177 4.342 -3.044 1.00 0.00 O ATOM 88 CB ALA A 6 -9.959 6.772 -5.364 1.00 0.00 C ATOM 0 H ALA A 6 -9.255 8.418 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.930 6.044 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.125 5.855 -5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.752 7.485 -5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.997 7.201 -5.643 1.00 0.00 H new ATOM 94 N PHE A 7 -7.637 5.761 -3.867 1.00 0.00 N ATOM 95 CA PHE A 7 -6.523 4.851 -3.610 1.00 0.00 C ATOM 96 C PHE A 7 -6.526 4.429 -2.144 1.00 0.00 C ATOM 97 O PHE A 7 -6.332 3.258 -1.821 1.00 0.00 O ATOM 98 CB PHE A 7 -5.197 5.545 -3.961 1.00 0.00 C ATOM 99 CG PHE A 7 -4.073 4.992 -3.114 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.386 3.843 -3.523 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.718 5.632 -1.920 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.343 3.334 -2.739 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.675 5.123 -1.136 1.00 0.00 C ATOM 104 CZ PHE A 7 -1.988 3.975 -1.546 1.00 0.00 C ATOM 0 H PHE A 7 -7.372 6.649 -4.293 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.633 3.962 -4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.971 5.399 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.288 6.619 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.660 3.349 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.248 6.518 -1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.813 2.448 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.401 5.616 -0.215 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.183 3.583 -0.942 1.00 0.00 H new ATOM 114 N LYS A 8 -6.744 5.397 -1.267 1.00 0.00 N ATOM 115 CA LYS A 8 -6.773 5.133 0.164 1.00 0.00 C ATOM 116 C LYS A 8 -7.977 4.279 0.548 1.00 0.00 C ATOM 117 O LYS A 8 -7.863 3.364 1.367 1.00 0.00 O ATOM 118 CB LYS A 8 -6.840 6.454 0.933 1.00 0.00 C ATOM 119 CG LYS A 8 -6.566 6.190 2.415 1.00 0.00 C ATOM 120 CD LYS A 8 -6.400 7.521 3.152 1.00 0.00 C ATOM 121 CE LYS A 8 -7.648 8.382 2.948 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.864 7.522 3.001 1.00 0.00 N ATOM 0 H LYS A 8 -6.903 6.372 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.863 4.590 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.108 7.157 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.822 6.911 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.387 5.621 2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.665 5.586 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.240 7.342 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.520 8.046 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.701 9.152 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.595 8.895 1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.697 8.111 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.991 7.044 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.754 6.810 3.751 1.00 0.00 H new ATOM 136 N SER A 9 -9.141 4.590 -0.014 1.00 0.00 N ATOM 137 CA SER A 9 -10.334 3.836 0.337 1.00 0.00 C ATOM 138 C SER A 9 -10.173 2.376 -0.073 1.00 0.00 C ATOM 139 O SER A 9 -10.851 1.494 0.453 1.00 0.00 O ATOM 140 CB SER A 9 -11.577 4.444 -0.314 1.00 0.00 C ATOM 141 OG SER A 9 -11.328 4.646 -1.698 1.00 0.00 O ATOM 0 H SER A 9 -9.281 5.337 -0.695 1.00 0.00 H new ATOM 0 HA SER A 9 -10.465 3.884 1.418 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.433 3.783 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.827 5.391 0.165 1.00 0.00 H new ATOM 0 HG SER A 9 -10.570 4.091 -1.978 1.00 0.00 H new ATOM 147 N LEU A 10 -9.248 2.125 -0.997 1.00 0.00 N ATOM 148 CA LEU A 10 -8.988 0.764 -1.444 1.00 0.00 C ATOM 149 C LEU A 10 -8.193 0.033 -0.366 1.00 0.00 C ATOM 150 O LEU A 10 -8.321 -1.180 -0.201 1.00 0.00 O ATOM 151 CB LEU A 10 -8.225 0.778 -2.785 1.00 0.00 C ATOM 152 CG LEU A 10 -7.295 -0.449 -2.895 1.00 0.00 C ATOM 153 CD1 LEU A 10 -6.956 -0.736 -4.371 1.00 0.00 C ATOM 154 CD2 LEU A 10 -5.994 -0.191 -2.106 1.00 0.00 C ATOM 0 H LEU A 10 -8.673 2.839 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.930 0.241 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.934 0.779 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.639 1.693 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.809 -1.315 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.300 -1.604 -4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.874 -0.936 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.454 0.129 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.341 -1.060 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.487 0.683 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.233 -0.013 -1.058 1.00 0.00 H new ATOM 166 N LEU A 11 -7.387 0.785 0.380 1.00 0.00 N ATOM 167 CA LEU A 11 -6.600 0.193 1.453 1.00 0.00 C ATOM 168 C LEU A 11 -7.538 -0.298 2.547 1.00 0.00 C ATOM 169 O LEU A 11 -7.378 -1.403 3.056 1.00 0.00 O ATOM 170 CB LEU A 11 -5.609 1.214 2.032 1.00 0.00 C ATOM 171 CG LEU A 11 -4.277 1.151 1.271 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.578 2.512 1.355 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.377 0.077 1.894 1.00 0.00 C ATOM 0 H LEU A 11 -7.264 1.791 0.262 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.028 -0.644 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.028 2.218 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.442 1.010 3.090 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.468 0.901 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.632 2.469 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.215 3.276 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.389 2.760 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.432 0.035 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.185 0.324 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.873 -0.892 1.835 1.00 0.00 H new ATOM 185 N LYS A 12 -8.531 0.520 2.891 1.00 0.00 N ATOM 186 CA LYS A 12 -9.497 0.129 3.915 1.00 0.00 C ATOM 187 C LYS A 12 -9.841 -1.348 3.755 1.00 0.00 C ATOM 188 O LYS A 12 -9.739 -2.129 4.702 1.00 0.00 O ATOM 189 CB LYS A 12 -10.769 0.970 3.791 1.00 0.00 C ATOM 190 CG LYS A 12 -11.769 0.552 4.873 1.00 0.00 C ATOM 191 CD LYS A 12 -12.861 1.621 5.013 1.00 0.00 C ATOM 192 CE LYS A 12 -12.405 2.708 5.993 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.132 3.976 5.702 1.00 0.00 N ATOM 0 H LYS A 12 -8.687 1.442 2.484 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.058 0.297 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.529 2.028 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.210 0.837 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.218 -0.407 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.254 0.418 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.076 2.063 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.785 1.165 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.598 2.393 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.330 2.864 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.823 4.714 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.926 4.279 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.155 3.822 5.807 1.00 0.00 H new ATOM 207 N LYS A 13 -10.222 -1.727 2.539 1.00 0.00 N ATOM 208 CA LYS A 13 -10.546 -3.117 2.248 1.00 0.00 C ATOM 209 C LYS A 13 -9.390 -4.009 2.689 1.00 0.00 C ATOM 210 O LYS A 13 -9.593 -5.069 3.283 1.00 0.00 O ATOM 211 CB LYS A 13 -10.784 -3.287 0.741 1.00 0.00 C ATOM 212 CG LYS A 13 -12.236 -2.927 0.385 1.00 0.00 C ATOM 213 CD LYS A 13 -13.212 -4.015 0.869 1.00 0.00 C ATOM 214 CE LYS A 13 -12.800 -5.387 0.324 1.00 0.00 C ATOM 215 NZ LYS A 13 -11.876 -6.049 1.289 1.00 0.00 N ATOM 0 H LYS A 13 -10.313 -1.094 1.744 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.450 -3.400 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.097 -2.650 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.575 -4.315 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.498 -1.971 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.329 -2.804 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.227 -4.040 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.224 -3.776 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.682 -6.007 0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.312 -5.274 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.948 -6.190 0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.765 -5.449 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.269 -6.970 1.570 1.00 0.00 H new ATOM 229 N HIS A 14 -8.176 -3.556 2.397 1.00 0.00 N ATOM 230 CA HIS A 14 -6.970 -4.289 2.762 1.00 0.00 C ATOM 231 C HIS A 14 -6.793 -4.322 4.277 1.00 0.00 C ATOM 232 O HIS A 14 -6.793 -5.387 4.893 1.00 0.00 O ATOM 233 CB HIS A 14 -5.750 -3.605 2.138 1.00 0.00 C ATOM 234 CG HIS A 14 -4.575 -4.546 2.160 1.00 0.00 C ATOM 235 ND1 HIS A 14 -4.729 -5.920 2.259 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.222 -4.324 2.099 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.499 -6.468 2.255 1.00 0.00 C ATOM 238 NE2 HIS A 14 -2.545 -5.539 2.160 1.00 0.00 N ATOM 0 H HIS A 14 -8.001 -2.679 1.906 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.064 -5.310 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.972 -3.309 1.113 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.510 -2.695 2.688 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.754 -3.354 2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.308 -7.529 2.321 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.536 -5.688 2.137 1.00 0.00 H new ATOM 247 N TYR A 15 -6.625 -3.140 4.863 1.00 0.00 N ATOM 248 CA TYR A 15 -6.427 -3.015 6.299 1.00 0.00 C ATOM 249 C TYR A 15 -7.762 -2.868 7.022 1.00 0.00 C ATOM 250 O TYR A 15 -7.839 -2.240 8.077 1.00 0.00 O ATOM 251 CB TYR A 15 -5.554 -1.783 6.582 1.00 0.00 C ATOM 252 CG TYR A 15 -4.091 -2.161 6.503 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.215 -1.774 7.524 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.612 -2.898 5.413 1.00 0.00 C ATOM 255 CE1 TYR A 15 -1.862 -2.123 7.457 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.257 -3.247 5.346 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.383 -2.859 6.367 1.00 0.00 C ATOM 258 OH TYR A 15 -0.048 -3.204 6.300 1.00 0.00 O ATOM 0 H TYR A 15 -6.623 -2.252 4.360 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.935 -3.917 6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.775 -0.996 5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.783 -1.383 7.570 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.584 -1.205 8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.287 -3.197 4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.187 -1.825 8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.887 -3.816 4.506 1.00 0.00 H new ATOM 0 HH TYR A 15 0.117 -3.714 5.480 1.00 0.00 H new ATOM 268 N GLU A 16 -8.815 -3.453 6.461 1.00 0.00 N ATOM 269 CA GLU A 16 -10.130 -3.371 7.085 1.00 0.00 C ATOM 270 C GLU A 16 -10.044 -3.805 8.542 1.00 0.00 C ATOM 271 O GLU A 16 -10.350 -3.033 9.450 1.00 0.00 O ATOM 272 CB GLU A 16 -11.122 -4.266 6.338 1.00 0.00 C ATOM 273 CG GLU A 16 -12.504 -4.145 6.981 1.00 0.00 C ATOM 274 CD GLU A 16 -13.566 -4.716 6.047 1.00 0.00 C ATOM 275 OE1 GLU A 16 -14.040 -5.806 6.319 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.889 -4.055 5.075 1.00 0.00 O ATOM 0 H GLU A 16 -8.786 -3.981 5.589 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.476 -2.338 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.171 -3.976 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.786 -5.302 6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.520 -4.678 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.723 -3.099 7.198 1.00 0.00 H new ATOM 283 N LYS A 17 -9.614 -5.044 8.756 1.00 0.00 N ATOM 284 CA LYS A 17 -9.476 -5.572 10.106 1.00 0.00 C ATOM 285 C LYS A 17 -8.202 -5.037 10.748 1.00 0.00 C ATOM 286 O LYS A 17 -7.846 -5.419 11.863 1.00 0.00 O ATOM 287 CB LYS A 17 -9.430 -7.101 10.066 1.00 0.00 C ATOM 288 CG LYS A 17 -10.729 -7.633 9.455 1.00 0.00 C ATOM 289 CD LYS A 17 -10.620 -9.146 9.230 1.00 0.00 C ATOM 290 CE LYS A 17 -9.541 -9.449 8.182 1.00 0.00 C ATOM 291 NZ LYS A 17 -9.452 -8.324 7.208 1.00 0.00 N ATOM 0 H LYS A 17 -9.357 -5.697 8.016 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.334 -5.254 10.698 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.575 -7.435 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.299 -7.498 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.568 -7.415 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.929 -7.130 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.376 -9.644 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.580 -9.542 8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.578 -9.596 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.778 -10.376 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.947 -8.642 6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.410 -8.014 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.937 -7.531 7.640 1.00 0.00 H new ATOM 305 N THR A 18 -7.519 -4.148 10.029 1.00 0.00 N ATOM 306 CA THR A 18 -6.279 -3.557 10.523 1.00 0.00 C ATOM 307 C THR A 18 -6.302 -2.042 10.336 1.00 0.00 C ATOM 308 O THR A 18 -5.294 -1.436 9.972 1.00 0.00 O ATOM 309 CB THR A 18 -5.084 -4.150 9.769 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.297 -5.541 9.569 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.804 -3.941 10.582 1.00 0.00 C ATOM 0 H THR A 18 -7.803 -3.822 9.105 1.00 0.00 H new ATOM 0 HA THR A 18 -6.185 -3.781 11.586 1.00 0.00 H new ATOM 0 HB THR A 18 -4.982 -3.653 8.805 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.535 -5.922 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.957 -4.364 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.640 -2.874 10.735 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.902 -4.436 11.548 1.00 0.00 H new ATOM 319 N ILE A 19 -7.460 -1.437 10.584 1.00 0.00 N ATOM 320 CA ILE A 19 -7.601 0.008 10.436 1.00 0.00 C ATOM 321 C ILE A 19 -6.937 0.735 11.600 1.00 0.00 C ATOM 322 O ILE A 19 -6.032 1.541 11.394 1.00 0.00 O ATOM 323 CB ILE A 19 -9.083 0.390 10.364 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.209 1.913 10.266 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.813 -0.106 11.618 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.628 2.281 9.826 1.00 0.00 C ATOM 0 H ILE A 19 -8.307 -1.919 10.885 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.109 0.307 9.511 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.532 -0.073 9.485 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.986 2.370 11.230 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.483 2.303 9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.866 0.170 11.559 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.725 -1.190 11.685 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.368 0.350 12.502 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.718 3.365 9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.834 1.836 8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.345 1.904 10.556 1.00 0.00 H new ATOM 338 N GLY A 20 -7.392 0.451 12.821 1.00 0.00 N ATOM 339 CA GLY A 20 -6.829 1.091 14.010 1.00 0.00 C ATOM 340 C GLY A 20 -5.368 1.463 13.789 1.00 0.00 C ATOM 341 O GLY A 20 -5.006 2.640 13.816 1.00 0.00 O ATOM 0 H GLY A 20 -8.143 -0.213 13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.403 1.985 14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.912 0.418 14.863 1.00 0.00 H new ATOM 345 N PHE A 21 -4.535 0.454 13.556 1.00 0.00 N ATOM 346 CA PHE A 21 -3.118 0.691 13.315 1.00 0.00 C ATOM 347 C PHE A 21 -2.941 1.862 12.353 1.00 0.00 C ATOM 348 O PHE A 21 -2.144 2.768 12.599 1.00 0.00 O ATOM 349 CB PHE A 21 -2.471 -0.568 12.727 1.00 0.00 C ATOM 350 CG PHE A 21 -1.105 -0.230 12.173 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.890 -0.228 10.789 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.056 0.082 13.045 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.374 0.086 10.278 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.209 0.396 12.533 1.00 0.00 C ATOM 355 CZ PHE A 21 1.424 0.399 11.150 1.00 0.00 C ATOM 0 H PHE A 21 -4.814 -0.527 13.529 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.634 0.932 14.261 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.382 -1.335 13.496 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.102 -0.978 11.939 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.700 -0.469 10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.222 0.081 14.112 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.540 0.087 9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.019 0.636 13.206 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.399 0.643 10.755 1.00 0.00 H new ATOM 365 N HIS A 22 -3.697 1.836 11.260 1.00 0.00 N ATOM 366 CA HIS A 22 -3.626 2.901 10.268 1.00 0.00 C ATOM 367 C HIS A 22 -4.139 4.212 10.852 1.00 0.00 C ATOM 368 O HIS A 22 -3.597 5.281 10.572 1.00 0.00 O ATOM 369 CB HIS A 22 -4.464 2.538 9.040 1.00 0.00 C ATOM 370 CG HIS A 22 -4.285 3.601 7.991 1.00 0.00 C ATOM 371 ND1 HIS A 22 -4.383 4.951 8.288 1.00 0.00 N ATOM 372 CD2 HIS A 22 -4.009 3.532 6.647 1.00 0.00 C ATOM 373 CE1 HIS A 22 -4.169 5.634 7.149 1.00 0.00 C ATOM 374 NE2 HIS A 22 -3.937 4.817 6.117 1.00 0.00 N ATOM 0 H HIS A 22 -4.361 1.094 11.040 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.583 3.022 9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.157 1.568 8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.516 2.453 9.314 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -4.581 5.354 9.204 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.869 2.619 6.087 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.183 6.712 7.077 1.00 0.00 H new ATOM 383 N ASP A 23 -5.188 4.121 11.662 1.00 0.00 N ATOM 384 CA ASP A 23 -5.771 5.307 12.279 1.00 0.00 C ATOM 385 C ASP A 23 -4.923 5.772 13.460 1.00 0.00 C ATOM 386 O ASP A 23 -5.068 6.898 13.934 1.00 0.00 O ATOM 387 CB ASP A 23 -7.190 4.996 12.760 1.00 0.00 C ATOM 388 CG ASP A 23 -7.942 6.293 13.043 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.545 6.997 13.957 1.00 0.00 O ATOM 390 OD2 ASP A 23 -8.905 6.560 12.342 1.00 0.00 O ATOM 0 H ASP A 23 -5.650 3.245 11.906 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.802 6.103 11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.720 4.416 12.004 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.151 4.384 13.661 1.00 0.00 H new ATOM 395 N LYS A 24 -4.050 4.894 13.941 1.00 0.00 N ATOM 396 CA LYS A 24 -3.198 5.224 15.079 1.00 0.00 C ATOM 397 C LYS A 24 -1.787 5.614 14.638 1.00 0.00 C ATOM 398 O LYS A 24 -1.261 6.637 15.075 1.00 0.00 O ATOM 399 CB LYS A 24 -3.129 4.027 16.038 1.00 0.00 C ATOM 400 CG LYS A 24 -3.289 4.501 17.489 1.00 0.00 C ATOM 401 CD LYS A 24 -4.773 4.704 17.805 1.00 0.00 C ATOM 402 CE LYS A 24 -4.918 5.570 19.057 1.00 0.00 C ATOM 403 NZ LYS A 24 -6.361 5.846 19.306 1.00 0.00 N ATOM 0 H LYS A 24 -3.914 3.956 13.565 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.637 6.083 15.586 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.913 3.310 15.793 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.176 3.511 15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.859 3.767 18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.744 5.433 17.639 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.273 5.180 16.961 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.257 3.740 17.960 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.480 5.062 19.916 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.374 6.506 18.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.460 6.435 20.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.764 6.348 18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.867 4.948 19.445 1.00 0.00 H new ATOM 417 N TYR A 25 -1.161 4.794 13.800 1.00 0.00 N ATOM 418 CA TYR A 25 0.203 5.079 13.357 1.00 0.00 C ATOM 419 C TYR A 25 0.223 5.978 12.123 1.00 0.00 C ATOM 420 O TYR A 25 0.443 7.185 12.218 1.00 0.00 O ATOM 421 CB TYR A 25 0.925 3.767 13.032 1.00 0.00 C ATOM 422 CG TYR A 25 1.474 3.155 14.299 1.00 0.00 C ATOM 423 CD1 TYR A 25 0.632 2.431 15.151 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.827 3.313 14.622 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.144 1.863 16.324 1.00 0.00 C ATOM 426 CE2 TYR A 25 3.339 2.747 15.795 1.00 0.00 C ATOM 427 CZ TYR A 25 2.496 2.022 16.646 1.00 0.00 C ATOM 428 OH TYR A 25 3.001 1.463 17.802 1.00 0.00 O ATOM 0 H TYR A 25 -1.567 3.940 13.418 1.00 0.00 H new ATOM 0 HA TYR A 25 0.710 5.602 14.168 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.236 3.072 12.551 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.735 3.953 12.327 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.412 2.310 14.904 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.477 3.872 13.965 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.495 1.302 16.980 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.383 2.869 16.043 1.00 0.00 H new ATOM 0 HH TYR A 25 3.957 1.667 17.874 1.00 0.00 H new ATOM 438 N ILE A 26 0.019 5.361 10.965 1.00 0.00 N ATOM 439 CA ILE A 26 0.042 6.081 9.693 1.00 0.00 C ATOM 440 C ILE A 26 -0.792 7.360 9.742 1.00 0.00 C ATOM 441 O ILE A 26 -0.457 8.345 9.084 1.00 0.00 O ATOM 442 CB ILE A 26 -0.480 5.172 8.578 1.00 0.00 C ATOM 443 CG1 ILE A 26 0.351 3.886 8.543 1.00 0.00 C ATOM 444 CG2 ILE A 26 -0.360 5.893 7.234 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.265 2.900 7.549 1.00 0.00 C ATOM 0 H ILE A 26 -0.165 4.361 10.879 1.00 0.00 H new ATOM 0 HA ILE A 26 1.075 6.366 9.494 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.525 4.927 8.766 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.378 4.113 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.389 3.439 9.537 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.732 5.246 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.948 6.811 7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.685 6.137 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.329 1.986 7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.284 2.663 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.280 3.347 6.555 1.00 0.00 H new ATOM 457 N LYS A 27 -1.880 7.341 10.504 1.00 0.00 N ATOM 458 CA LYS A 27 -2.752 8.512 10.600 1.00 0.00 C ATOM 459 C LYS A 27 -1.943 9.806 10.607 1.00 0.00 C ATOM 460 O LYS A 27 -2.090 10.644 9.719 1.00 0.00 O ATOM 461 CB LYS A 27 -3.592 8.442 11.872 1.00 0.00 C ATOM 462 CG LYS A 27 -4.542 9.644 11.923 1.00 0.00 C ATOM 463 CD LYS A 27 -5.699 9.350 12.882 1.00 0.00 C ATOM 464 CE LYS A 27 -6.720 10.488 12.817 1.00 0.00 C ATOM 465 NZ LYS A 27 -7.158 10.679 11.406 1.00 0.00 N ATOM 0 H LYS A 27 -2.179 6.539 11.059 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.403 8.510 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.162 7.513 11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.944 8.439 12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.002 10.532 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.929 9.856 10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.174 8.406 12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.323 9.242 13.899 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.578 10.258 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.280 11.409 13.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.081 11.158 11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.458 11.260 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.241 9.753 10.940 1.00 0.00 H new ATOM 479 N ASP A 28 -1.096 9.959 11.620 1.00 0.00 N ATOM 480 CA ASP A 28 -0.271 11.156 11.742 1.00 0.00 C ATOM 481 C ASP A 28 0.655 11.294 10.539 1.00 0.00 C ATOM 482 O ASP A 28 1.875 11.195 10.668 1.00 0.00 O ATOM 483 CB ASP A 28 0.560 11.089 13.024 1.00 0.00 C ATOM 484 CG ASP A 28 1.188 12.448 13.311 1.00 0.00 C ATOM 485 OD1 ASP A 28 0.448 13.414 13.398 1.00 0.00 O ATOM 486 OD2 ASP A 28 2.401 12.504 13.439 1.00 0.00 O ATOM 0 H ASP A 28 -0.963 9.274 12.364 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.928 12.025 11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.070 10.787 13.860 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.339 10.333 12.923 1.00 0.00 H new ATOM 491 N ILE A 29 0.066 11.523 9.370 1.00 0.00 N ATOM 492 CA ILE A 29 0.843 11.673 8.146 1.00 0.00 C ATOM 493 C ILE A 29 -0.035 12.224 7.026 1.00 0.00 C ATOM 494 O ILE A 29 -1.262 12.228 7.133 1.00 0.00 O ATOM 495 CB ILE A 29 1.436 10.315 7.737 1.00 0.00 C ATOM 496 CG1 ILE A 29 2.769 10.532 7.007 1.00 0.00 C ATOM 497 CG2 ILE A 29 0.464 9.577 6.810 1.00 0.00 C ATOM 498 CD1 ILE A 29 3.875 10.882 8.013 1.00 0.00 C ATOM 0 H ILE A 29 -0.943 11.608 9.245 1.00 0.00 H new ATOM 0 HA ILE A 29 1.656 12.376 8.326 1.00 0.00 H new ATOM 0 HB ILE A 29 1.603 9.717 8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.041 9.632 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.665 11.334 6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.892 8.616 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.481 9.414 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.289 10.175 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.815 11.033 7.482 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.607 11.795 8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.989 10.066 8.727 1.00 0.00 H new ATOM 510 N ASN A 30 0.598 12.686 5.953 1.00 0.00 N ATOM 511 CA ASN A 30 -0.140 13.234 4.820 1.00 0.00 C ATOM 512 C ASN A 30 0.815 13.618 3.697 1.00 0.00 C ATOM 513 O ASN A 30 0.670 14.676 3.084 1.00 0.00 O ATOM 514 CB ASN A 30 -0.933 14.466 5.259 1.00 0.00 C ATOM 515 CG ASN A 30 -0.026 15.423 6.027 1.00 0.00 C ATOM 516 OD1 ASN A 30 1.266 15.246 5.999 1.00 0.00 O flip ATOM 517 ND2 ASN A 30 -0.509 16.356 6.669 1.00 0.00 N flip ATOM 0 H ASN A 30 1.612 12.692 5.844 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.827 12.471 4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.352 14.969 4.387 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.772 14.164 5.886 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.520 16.492 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.102 16.993 7.181 1.00 0.00 H new ATOM 524 N ARG A 31 1.788 12.749 3.428 1.00 0.00 N ATOM 525 CA ARG A 31 2.765 13.005 2.370 1.00 0.00 C ATOM 526 C ARG A 31 2.903 11.780 1.466 1.00 0.00 C ATOM 527 O ARG A 31 3.449 10.753 1.870 1.00 0.00 O ATOM 528 CB ARG A 31 4.131 13.348 2.990 1.00 0.00 C ATOM 529 CG ARG A 31 4.558 14.769 2.606 1.00 0.00 C ATOM 530 CD ARG A 31 3.743 15.789 3.405 1.00 0.00 C ATOM 531 NE ARG A 31 4.149 17.146 3.053 1.00 0.00 N ATOM 532 CZ ARG A 31 3.755 17.708 1.914 1.00 0.00 C ATOM 533 NH1 ARG A 31 2.993 17.045 1.088 1.00 0.00 N ATOM 534 NH2 ARG A 31 4.130 18.924 1.623 1.00 0.00 N ATOM 0 H ARG A 31 1.921 11.868 3.924 1.00 0.00 H new ATOM 0 HA ARG A 31 2.418 13.848 1.772 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.076 13.260 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.880 12.633 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.621 14.905 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.409 14.927 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.680 15.655 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.887 15.624 4.473 1.00 0.00 H new ATOM 0 HE ARG A 31 4.745 17.672 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.699 16.095 1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.691 17.477 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.725 19.443 2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.828 19.356 0.749 1.00 0.00 H new ATOM 548 N PHE A 32 2.408 11.906 0.242 1.00 0.00 N ATOM 549 CA PHE A 32 2.475 10.821 -0.732 1.00 0.00 C ATOM 550 C PHE A 32 2.649 11.399 -2.131 1.00 0.00 C ATOM 551 O PHE A 32 1.997 12.379 -2.490 1.00 0.00 O ATOM 552 CB PHE A 32 1.196 9.982 -0.671 1.00 0.00 C ATOM 553 CG PHE A 32 0.035 10.782 -1.213 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.727 11.582 -0.353 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.279 10.725 -2.576 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.804 12.323 -0.856 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.354 11.466 -3.079 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.116 12.265 -2.219 1.00 0.00 C ATOM 0 H PHE A 32 1.954 12.752 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 32 3.327 10.183 -0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.322 9.067 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.995 9.683 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.484 11.628 0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.309 10.109 -3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.393 12.939 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.596 11.421 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.945 12.837 -2.608 1.00 0.00 H new ATOM 568 N VAL A 33 3.547 10.802 -2.914 1.00 0.00 N ATOM 569 CA VAL A 33 3.805 11.295 -4.266 1.00 0.00 C ATOM 570 C VAL A 33 3.808 10.168 -5.296 1.00 0.00 C ATOM 571 O VAL A 33 4.456 9.130 -5.113 1.00 0.00 O ATOM 572 CB VAL A 33 5.152 12.020 -4.305 1.00 0.00 C ATOM 573 CG1 VAL A 33 5.218 13.038 -3.166 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.289 11.006 -4.149 1.00 0.00 C ATOM 0 H VAL A 33 4.100 9.989 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 33 2.999 11.982 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 33 5.256 12.535 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.178 13.554 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.412 13.763 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.111 12.523 -2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.247 11.526 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.186 10.487 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.245 10.282 -4.963 1.00 0.00 H new ATOM 584 N PHE A 34 3.070 10.405 -6.383 1.00 0.00 N ATOM 585 CA PHE A 34 2.957 9.453 -7.484 1.00 0.00 C ATOM 586 C PHE A 34 3.275 10.172 -8.797 1.00 0.00 C ATOM 587 O PHE A 34 2.756 11.260 -9.045 1.00 0.00 O ATOM 588 CB PHE A 34 1.527 8.895 -7.536 1.00 0.00 C ATOM 589 CG PHE A 34 1.249 8.298 -8.898 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.065 8.621 -9.570 1.00 0.00 C ATOM 591 CD2 PHE A 34 2.174 7.427 -9.487 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.195 8.076 -10.833 1.00 0.00 C ATOM 593 CE2 PHE A 34 1.913 6.880 -10.750 1.00 0.00 C ATOM 594 CZ PHE A 34 0.729 7.205 -11.422 1.00 0.00 C ATOM 0 H PHE A 34 2.535 11.262 -6.522 1.00 0.00 H new ATOM 0 HA PHE A 34 3.657 8.631 -7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.397 8.136 -6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.811 9.689 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.649 9.291 -9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.088 7.177 -8.968 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.108 8.327 -11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.625 6.208 -11.205 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.528 6.783 -12.396 1.00 0.00 H new ATOM 604 N LYS A 35 4.116 9.568 -9.636 1.00 0.00 N ATOM 605 CA LYS A 35 4.469 10.189 -10.914 1.00 0.00 C ATOM 606 C LYS A 35 5.497 9.360 -11.683 1.00 0.00 C ATOM 607 O LYS A 35 5.644 9.519 -12.894 1.00 0.00 O ATOM 608 CB LYS A 35 5.034 11.595 -10.678 1.00 0.00 C ATOM 609 CG LYS A 35 5.564 12.166 -11.998 1.00 0.00 C ATOM 610 CD LYS A 35 5.705 13.694 -11.890 1.00 0.00 C ATOM 611 CE LYS A 35 4.413 14.376 -12.355 1.00 0.00 C ATOM 612 NZ LYS A 35 3.310 14.064 -11.403 1.00 0.00 N ATOM 0 H LYS A 35 4.559 8.666 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 35 3.558 10.246 -11.510 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.259 12.246 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.835 11.557 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.529 11.719 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.886 11.912 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.923 13.975 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.544 14.034 -12.498 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.561 15.454 -12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.150 14.034 -13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.529 14.737 -11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.968 13.097 -11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.662 14.141 -10.427 1.00 0.00 H new ATOM 626 N ASN A 36 6.219 8.492 -10.979 1.00 0.00 N ATOM 627 CA ASN A 36 7.240 7.664 -11.622 1.00 0.00 C ATOM 628 C ASN A 36 6.925 6.182 -11.462 1.00 0.00 C ATOM 629 O ASN A 36 7.779 5.397 -11.050 1.00 0.00 O ATOM 630 CB ASN A 36 8.608 7.964 -11.006 1.00 0.00 C ATOM 631 CG ASN A 36 8.512 7.931 -9.485 1.00 0.00 C ATOM 632 OD1 ASN A 36 7.499 8.337 -8.918 1.00 0.00 O ATOM 633 ND2 ASN A 36 9.515 7.471 -8.787 1.00 0.00 N ATOM 0 H ASN A 36 6.120 8.343 -9.975 1.00 0.00 H new ATOM 0 HA ASN A 36 7.252 7.901 -12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.339 7.232 -11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.958 8.942 -11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.460 7.448 -7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.354 7.135 -9.260 1.00 0.00 H new ATOM 640 N ASN A 37 5.694 5.804 -11.793 1.00 0.00 N ATOM 641 CA ASN A 37 5.277 4.409 -11.685 1.00 0.00 C ATOM 642 C ASN A 37 5.530 3.876 -10.276 1.00 0.00 C ATOM 643 O ASN A 37 5.200 2.731 -9.970 1.00 0.00 O ATOM 644 CB ASN A 37 6.041 3.557 -12.701 1.00 0.00 C ATOM 645 CG ASN A 37 5.329 2.224 -12.906 1.00 0.00 C ATOM 646 OD1 ASN A 37 5.541 1.542 -13.998 1.00 0.00 O flip ATOM 647 ND2 ASN A 37 4.558 1.793 -12.047 1.00 0.00 N flip ATOM 0 H ASN A 37 4.972 6.438 -12.136 1.00 0.00 H new ATOM 0 HA ASN A 37 4.208 4.353 -11.892 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.116 4.088 -13.650 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.059 3.385 -12.351 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.394 2.328 -11.194 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.084 0.901 -12.189 1.00 0.00 H new ATOM 654 N VAL A 38 6.110 4.716 -9.423 1.00 0.00 N ATOM 655 CA VAL A 38 6.398 4.327 -8.045 1.00 0.00 C ATOM 656 C VAL A 38 5.656 5.247 -7.086 1.00 0.00 C ATOM 657 O VAL A 38 5.359 6.394 -7.422 1.00 0.00 O ATOM 658 CB VAL A 38 7.902 4.410 -7.780 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.183 4.056 -6.319 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.634 3.424 -8.693 1.00 0.00 C ATOM 0 H VAL A 38 6.389 5.668 -9.660 1.00 0.00 H new ATOM 0 HA VAL A 38 6.067 3.300 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 38 8.252 5.422 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.255 4.115 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.661 4.757 -5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.834 3.043 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.706 3.482 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.284 2.412 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.434 3.675 -9.735 1.00 0.00 H new ATOM 670 N LEU A 39 5.357 4.743 -5.895 1.00 0.00 N ATOM 671 CA LEU A 39 4.644 5.534 -4.896 1.00 0.00 C ATOM 672 C LEU A 39 5.414 5.550 -3.582 1.00 0.00 C ATOM 673 O LEU A 39 5.747 4.497 -3.031 1.00 0.00 O ATOM 674 CB LEU A 39 3.239 4.950 -4.669 1.00 0.00 C ATOM 675 CG LEU A 39 2.219 5.661 -5.570 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.316 5.123 -6.999 1.00 0.00 C ATOM 677 CD2 LEU A 39 0.807 5.412 -5.045 1.00 0.00 C ATOM 0 H LEU A 39 5.595 3.797 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 39 4.554 6.557 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.242 3.881 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.954 5.065 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 39 2.434 6.730 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.589 5.634 -7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.319 5.299 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.109 4.053 -7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.086 5.918 -5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.603 4.341 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.723 5.799 -4.029 1.00 0.00 H new ATOM 689 N LEU A 40 5.694 6.753 -3.082 1.00 0.00 N ATOM 690 CA LEU A 40 6.431 6.897 -1.826 1.00 0.00 C ATOM 691 C LEU A 40 5.556 7.602 -0.796 1.00 0.00 C ATOM 692 O LEU A 40 4.762 8.477 -1.138 1.00 0.00 O ATOM 693 CB LEU A 40 7.719 7.705 -2.070 1.00 0.00 C ATOM 694 CG LEU A 40 8.940 6.969 -1.492 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.212 7.483 -2.174 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.037 7.220 0.021 1.00 0.00 C ATOM 0 H LEU A 40 5.425 7.634 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 40 6.699 5.911 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.857 7.865 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.630 8.689 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 40 8.831 5.899 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.079 6.963 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.150 7.299 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.314 8.553 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.904 6.695 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.142 8.289 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.134 6.854 0.509 1.00 0.00 H new ATOM 708 N ILE A 41 5.701 7.210 0.467 1.00 0.00 N ATOM 709 CA ILE A 41 4.907 7.811 1.538 1.00 0.00 C ATOM 710 C ILE A 41 5.755 8.029 2.790 1.00 0.00 C ATOM 711 O ILE A 41 6.522 7.155 3.197 1.00 0.00 O ATOM 712 CB ILE A 41 3.719 6.906 1.879 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.767 6.835 0.681 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.974 7.479 3.088 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.676 5.797 0.949 1.00 0.00 C ATOM 0 H ILE A 41 6.353 6.487 0.773 1.00 0.00 H new ATOM 0 HA ILE A 41 4.544 8.778 1.189 1.00 0.00 H new ATOM 0 HB ILE A 41 4.081 5.905 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.317 7.812 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.320 6.571 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.128 6.836 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.650 7.529 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.613 8.480 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.001 5.750 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.134 4.820 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.115 6.081 1.839 1.00 0.00 H new ATOM 727 N LEU A 42 5.607 9.204 3.395 1.00 0.00 N ATOM 728 CA LEU A 42 6.356 9.536 4.603 1.00 0.00 C ATOM 729 C LEU A 42 5.996 8.567 5.729 1.00 0.00 C ATOM 730 O LEU A 42 4.824 8.263 5.948 1.00 0.00 O ATOM 731 CB LEU A 42 6.029 10.977 5.037 1.00 0.00 C ATOM 732 CG LEU A 42 7.302 11.830 5.173 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.378 11.083 5.977 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.840 12.174 3.782 1.00 0.00 C ATOM 0 H LEU A 42 4.979 9.939 3.071 1.00 0.00 H new ATOM 0 HA LEU A 42 7.422 9.454 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.360 11.434 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.499 10.959 5.989 1.00 0.00 H new ATOM 0 HG LEU A 42 7.050 12.747 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.269 11.706 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.998 10.859 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.632 10.153 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.742 12.778 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.076 11.255 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.086 12.734 3.229 1.00 0.00 H new ATOM 746 N LEU A 43 7.010 8.090 6.436 1.00 0.00 N ATOM 747 CA LEU A 43 6.794 7.159 7.540 1.00 0.00 C ATOM 748 C LEU A 43 7.938 7.250 8.549 1.00 0.00 C ATOM 749 O LEU A 43 9.041 6.766 8.296 1.00 0.00 O ATOM 750 CB LEU A 43 6.694 5.732 7.000 1.00 0.00 C ATOM 751 CG LEU A 43 6.071 4.818 8.061 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.564 5.088 8.173 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.299 3.356 7.666 1.00 0.00 C ATOM 0 H LEU A 43 7.987 8.329 6.268 1.00 0.00 H new ATOM 0 HA LEU A 43 5.864 7.423 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.088 5.718 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.684 5.366 6.728 1.00 0.00 H new ATOM 0 HG LEU A 43 6.539 5.018 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.132 4.433 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.401 6.128 8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.087 4.895 7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.857 2.703 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.833 3.163 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.369 3.160 7.599 1.00 0.00 H new ATOM 765 N GLU A 44 7.670 7.881 9.689 1.00 0.00 N ATOM 766 CA GLU A 44 8.688 8.039 10.725 1.00 0.00 C ATOM 767 C GLU A 44 8.665 6.867 11.709 1.00 0.00 C ATOM 768 O GLU A 44 9.690 6.227 11.943 1.00 0.00 O ATOM 769 CB GLU A 44 8.459 9.350 11.484 1.00 0.00 C ATOM 770 CG GLU A 44 7.089 9.324 12.169 1.00 0.00 C ATOM 771 CD GLU A 44 6.617 10.747 12.449 1.00 0.00 C ATOM 772 OE1 GLU A 44 5.493 11.059 12.091 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.386 11.504 13.018 1.00 0.00 O ATOM 0 H GLU A 44 6.764 8.289 9.919 1.00 0.00 H new ATOM 0 HA GLU A 44 9.663 8.060 10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.244 9.492 12.227 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.515 10.193 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.366 8.811 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.150 8.763 13.101 1.00 0.00 H new ATOM 780 N ASN A 45 7.496 6.597 12.287 1.00 0.00 N ATOM 781 CA ASN A 45 7.358 5.504 13.251 1.00 0.00 C ATOM 782 C ASN A 45 8.201 4.302 12.832 1.00 0.00 C ATOM 783 O ASN A 45 7.751 3.457 12.061 1.00 0.00 O ATOM 784 CB ASN A 45 5.888 5.089 13.365 1.00 0.00 C ATOM 785 CG ASN A 45 5.133 6.074 14.253 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.324 6.087 15.469 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.282 6.905 13.715 1.00 0.00 N ATOM 0 H ASN A 45 6.636 7.115 12.107 1.00 0.00 H new ATOM 0 HA ASN A 45 7.712 5.856 14.220 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.433 5.057 12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.817 4.084 13.781 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.774 7.566 14.302 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.125 6.893 12.707 1.00 0.00 H new ATOM 794 N GLU A 46 9.425 4.239 13.353 1.00 0.00 N ATOM 795 CA GLU A 46 10.344 3.147 13.037 1.00 0.00 C ATOM 796 C GLU A 46 9.611 1.812 12.995 1.00 0.00 C ATOM 797 O GLU A 46 9.872 0.978 12.129 1.00 0.00 O ATOM 798 CB GLU A 46 11.458 3.087 14.090 1.00 0.00 C ATOM 799 CG GLU A 46 12.151 1.719 14.046 1.00 0.00 C ATOM 800 CD GLU A 46 12.539 1.372 12.612 1.00 0.00 C ATOM 801 OE1 GLU A 46 13.210 2.178 11.989 1.00 0.00 O ATOM 802 OE2 GLU A 46 12.159 0.305 12.158 1.00 0.00 O ATOM 0 H GLU A 46 9.804 4.933 13.997 1.00 0.00 H new ATOM 0 HA GLU A 46 10.775 3.336 12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.185 3.878 13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.041 3.261 15.082 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.039 1.732 14.678 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.487 0.953 14.446 1.00 0.00 H new ATOM 809 N PHE A 47 8.704 1.612 13.937 1.00 0.00 N ATOM 810 CA PHE A 47 7.954 0.371 13.997 1.00 0.00 C ATOM 811 C PHE A 47 7.137 0.186 12.724 1.00 0.00 C ATOM 812 O PHE A 47 7.396 -0.718 11.927 1.00 0.00 O ATOM 813 CB PHE A 47 7.025 0.388 15.209 1.00 0.00 C ATOM 814 CG PHE A 47 6.286 -0.923 15.293 1.00 0.00 C ATOM 815 CD1 PHE A 47 6.974 -2.087 15.650 1.00 0.00 C ATOM 816 CD2 PHE A 47 4.915 -0.973 15.015 1.00 0.00 C ATOM 817 CE1 PHE A 47 6.290 -3.307 15.729 1.00 0.00 C ATOM 818 CE2 PHE A 47 4.231 -2.192 15.094 1.00 0.00 C ATOM 819 CZ PHE A 47 4.918 -3.359 15.451 1.00 0.00 C ATOM 0 H PHE A 47 8.471 2.288 14.665 1.00 0.00 H new ATOM 0 HA PHE A 47 8.654 -0.460 14.090 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.601 0.552 16.120 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.317 1.212 15.126 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.032 -2.045 15.865 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.386 -0.073 14.740 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.820 -4.207 16.004 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.173 -2.232 14.880 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.390 -4.299 15.512 1.00 0.00 H new ATOM 829 N ALA A 48 6.143 1.046 12.548 1.00 0.00 N ATOM 830 CA ALA A 48 5.275 0.981 11.377 1.00 0.00 C ATOM 831 C ALA A 48 6.070 0.663 10.113 1.00 0.00 C ATOM 832 O ALA A 48 5.543 0.053 9.186 1.00 0.00 O ATOM 833 CB ALA A 48 4.542 2.311 11.198 1.00 0.00 C ATOM 0 H ALA A 48 5.917 1.797 13.200 1.00 0.00 H new ATOM 0 HA ALA A 48 4.553 0.180 11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.896 2.255 10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.938 2.515 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.269 3.112 11.062 1.00 0.00 H new ATOM 839 N ARG A 49 7.338 1.065 10.079 1.00 0.00 N ATOM 840 CA ARG A 49 8.176 0.796 8.911 1.00 0.00 C ATOM 841 C ARG A 49 8.793 -0.595 9.022 1.00 0.00 C ATOM 842 O ARG A 49 8.998 -1.281 8.021 1.00 0.00 O ATOM 843 CB ARG A 49 9.294 1.848 8.788 1.00 0.00 C ATOM 844 CG ARG A 49 9.002 3.033 9.705 1.00 0.00 C ATOM 845 CD ARG A 49 9.884 4.221 9.317 1.00 0.00 C ATOM 846 NE ARG A 49 11.282 3.937 9.631 1.00 0.00 N ATOM 847 CZ ARG A 49 12.098 3.386 8.735 1.00 0.00 C ATOM 848 NH1 ARG A 49 11.657 3.087 7.544 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.342 3.147 9.048 1.00 0.00 N ATOM 0 H ARG A 49 7.803 1.570 10.833 1.00 0.00 H new ATOM 0 HA ARG A 49 7.549 0.846 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.254 1.403 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.372 2.188 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.950 3.310 9.632 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.187 2.755 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.778 4.429 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.558 5.114 9.850 1.00 0.00 H new ATOM 0 HE ARG A 49 11.641 4.166 10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.685 3.275 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.284 2.665 6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.688 3.382 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.968 2.725 8.362 1.00 0.00 H new ATOM 863 N ASN A 50 9.092 -0.994 10.251 1.00 0.00 N ATOM 864 CA ASN A 50 9.695 -2.294 10.508 1.00 0.00 C ATOM 865 C ASN A 50 8.889 -3.419 9.861 1.00 0.00 C ATOM 866 O ASN A 50 9.445 -4.333 9.253 1.00 0.00 O ATOM 867 CB ASN A 50 9.753 -2.533 12.018 1.00 0.00 C ATOM 868 CG ASN A 50 10.606 -3.759 12.322 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.266 -4.870 11.917 1.00 0.00 O ATOM 870 ND2 ASN A 50 11.702 -3.624 13.018 1.00 0.00 N ATOM 0 H ASN A 50 8.926 -0.434 11.087 1.00 0.00 H new ATOM 0 HA ASN A 50 10.697 -2.294 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.169 -1.658 12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.746 -2.675 12.411 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.277 -4.440 13.227 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.983 -2.703 13.353 1.00 0.00 H new ATOM 877 N SER A 51 7.571 -3.352 10.043 1.00 0.00 N ATOM 878 CA SER A 51 6.657 -4.371 9.526 1.00 0.00 C ATOM 879 C SER A 51 6.147 -4.057 8.118 1.00 0.00 C ATOM 880 O SER A 51 6.114 -4.934 7.252 1.00 0.00 O ATOM 881 CB SER A 51 5.459 -4.483 10.473 1.00 0.00 C ATOM 882 OG SER A 51 5.194 -5.854 10.735 1.00 0.00 O ATOM 0 H SER A 51 7.109 -2.596 10.549 1.00 0.00 H new ATOM 0 HA SER A 51 7.212 -5.307 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.667 -3.956 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.584 -4.010 10.028 1.00 0.00 H new ATOM 0 HG SER A 51 4.429 -5.929 11.342 1.00 0.00 H new ATOM 888 N LEU A 52 5.723 -2.820 7.896 1.00 0.00 N ATOM 889 CA LEU A 52 5.190 -2.443 6.592 1.00 0.00 C ATOM 890 C LEU A 52 6.117 -2.889 5.466 1.00 0.00 C ATOM 891 O LEU A 52 5.695 -3.607 4.559 1.00 0.00 O ATOM 892 CB LEU A 52 4.965 -0.927 6.518 1.00 0.00 C ATOM 893 CG LEU A 52 3.647 -0.561 7.220 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.506 0.961 7.283 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.454 -1.148 6.446 1.00 0.00 C ATOM 0 H LEU A 52 5.736 -2.071 8.588 1.00 0.00 H new ATOM 0 HA LEU A 52 4.233 -2.949 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.796 -0.403 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.935 -0.605 5.477 1.00 0.00 H new ATOM 0 HG LEU A 52 3.658 -0.973 8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.571 1.220 7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.343 1.381 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.503 1.368 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.526 -0.883 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.443 -0.745 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.546 -2.233 6.403 1.00 0.00 H new ATOM 907 N ASN A 53 7.375 -2.464 5.515 1.00 0.00 N ATOM 908 CA ASN A 53 8.319 -2.841 4.470 1.00 0.00 C ATOM 909 C ASN A 53 8.650 -4.329 4.553 1.00 0.00 C ATOM 910 O ASN A 53 9.220 -4.895 3.620 1.00 0.00 O ATOM 911 CB ASN A 53 9.598 -1.999 4.568 1.00 0.00 C ATOM 912 CG ASN A 53 10.580 -2.637 5.548 1.00 0.00 C ATOM 913 OD1 ASN A 53 11.729 -3.076 5.111 1.00 0.00 O flip ATOM 914 ND2 ASN A 53 10.292 -2.739 6.740 1.00 0.00 N flip ATOM 0 H ASN A 53 7.759 -1.871 6.251 1.00 0.00 H new ATOM 0 HA ASN A 53 7.853 -2.647 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.060 -1.912 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.352 -0.989 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.393 -2.395 7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.952 -3.167 7.389 1.00 0.00 H new ATOM 921 N ASP A 54 8.274 -4.965 5.658 1.00 0.00 N ATOM 922 CA ASP A 54 8.529 -6.392 5.815 1.00 0.00 C ATOM 923 C ASP A 54 7.592 -7.175 4.903 1.00 0.00 C ATOM 924 O ASP A 54 7.910 -8.275 4.451 1.00 0.00 O ATOM 925 CB ASP A 54 8.306 -6.818 7.269 1.00 0.00 C ATOM 926 CG ASP A 54 9.015 -8.142 7.540 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.135 -8.499 8.700 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.426 -8.777 6.584 1.00 0.00 O ATOM 0 H ASP A 54 7.800 -4.524 6.446 1.00 0.00 H new ATOM 0 HA ASP A 54 9.565 -6.599 5.546 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.683 -6.049 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.239 -6.920 7.467 1.00 0.00 H new ATOM 933 N ASN A 55 6.431 -6.581 4.638 1.00 0.00 N ATOM 934 CA ASN A 55 5.432 -7.201 3.775 1.00 0.00 C ATOM 935 C ASN A 55 4.431 -6.154 3.295 1.00 0.00 C ATOM 936 O ASN A 55 3.281 -6.131 3.736 1.00 0.00 O ATOM 937 CB ASN A 55 4.695 -8.306 4.535 1.00 0.00 C ATOM 938 CG ASN A 55 4.014 -7.727 5.770 1.00 0.00 C ATOM 939 OD1 ASN A 55 4.687 -7.267 6.693 1.00 0.00 O ATOM 940 ND2 ASN A 55 2.711 -7.720 5.843 1.00 0.00 N ATOM 0 H ASN A 55 6.160 -5.671 5.009 1.00 0.00 H new ATOM 0 HA ASN A 55 5.937 -7.635 2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.954 -8.772 3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.397 -9.086 4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.248 -7.333 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.155 -8.101 5.077 1.00 0.00 H new ATOM 947 N SER A 56 4.880 -5.283 2.393 1.00 0.00 N ATOM 948 CA SER A 56 4.022 -4.228 1.860 1.00 0.00 C ATOM 949 C SER A 56 3.485 -4.610 0.486 1.00 0.00 C ATOM 950 O SER A 56 3.649 -3.871 -0.485 1.00 0.00 O ATOM 951 CB SER A 56 4.810 -2.920 1.756 1.00 0.00 C ATOM 952 OG SER A 56 6.123 -3.199 1.285 1.00 0.00 O ATOM 0 H SER A 56 5.828 -5.287 2.018 1.00 0.00 H new ATOM 0 HA SER A 56 3.180 -4.095 2.539 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.306 -2.231 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.856 -2.431 2.729 1.00 0.00 H new ATOM 0 HG SER A 56 6.630 -2.363 1.216 1.00 0.00 H new ATOM 958 N GLU A 57 2.836 -5.765 0.413 1.00 0.00 N ATOM 959 CA GLU A 57 2.269 -6.232 -0.846 1.00 0.00 C ATOM 960 C GLU A 57 1.067 -5.379 -1.233 1.00 0.00 C ATOM 961 O GLU A 57 0.051 -5.896 -1.691 1.00 0.00 O ATOM 962 CB GLU A 57 1.842 -7.695 -0.715 1.00 0.00 C ATOM 963 CG GLU A 57 2.946 -8.489 -0.016 1.00 0.00 C ATOM 964 CD GLU A 57 4.249 -8.371 -0.800 1.00 0.00 C ATOM 965 OE1 GLU A 57 5.093 -7.589 -0.395 1.00 0.00 O ATOM 966 OE2 GLU A 57 4.385 -9.065 -1.795 1.00 0.00 O ATOM 0 H GLU A 57 2.690 -6.392 1.204 1.00 0.00 H new ATOM 0 HA GLU A 57 3.028 -6.147 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.914 -7.764 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.645 -8.117 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.087 -8.116 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.655 -9.536 0.067 1.00 0.00 H new ATOM 973 N ILE A 58 1.189 -4.069 -1.041 1.00 0.00 N ATOM 974 CA ILE A 58 0.103 -3.154 -1.372 1.00 0.00 C ATOM 975 C ILE A 58 -0.093 -3.078 -2.885 1.00 0.00 C ATOM 976 O ILE A 58 -1.053 -2.477 -3.367 1.00 0.00 O ATOM 977 CB ILE A 58 0.404 -1.762 -0.804 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.387 -1.834 0.727 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.660 -0.770 -1.282 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.816 -0.488 1.314 1.00 0.00 C ATOM 0 H ILE A 58 2.022 -3.620 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.819 -3.528 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 58 1.383 -1.429 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.613 -2.092 1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.058 -2.621 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.444 0.219 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.653 -0.725 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.642 -1.096 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.802 -0.545 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.824 -0.248 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.128 0.289 0.982 1.00 0.00 H new ATOM 992 N ILE A 59 0.814 -3.706 -3.628 1.00 0.00 N ATOM 993 CA ILE A 59 0.721 -3.718 -5.085 1.00 0.00 C ATOM 994 C ILE A 59 -0.336 -4.734 -5.522 1.00 0.00 C ATOM 995 O ILE A 59 -0.594 -4.920 -6.710 1.00 0.00 O ATOM 996 CB ILE A 59 2.089 -4.063 -5.684 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.940 -4.419 -7.169 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.687 -5.251 -4.931 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.300 -4.303 -7.864 1.00 0.00 C ATOM 0 H ILE A 59 1.616 -4.210 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 59 0.424 -2.733 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 59 2.748 -3.200 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.552 -5.432 -7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.220 -3.752 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.660 -5.498 -5.355 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.805 -4.993 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.023 -6.111 -5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.192 -4.556 -8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.670 -3.282 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.007 -4.988 -7.397 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.947 -5.369 -4.529 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.998 -6.361 -4.754 1.00 0.00 C ATOM 1013 C HIS A 60 -3.344 -5.682 -5.011 1.00 0.00 C ATOM 1014 O HIS A 60 -4.238 -6.277 -5.611 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.118 -7.259 -3.514 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.223 -8.460 -3.667 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -0.373 -8.884 -2.657 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -1.039 -9.340 -4.705 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.279 -9.973 -3.105 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -0.090 -10.294 -4.348 1.00 0.00 N ATOM 0 H HIS A 60 -0.730 -5.213 -3.545 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.733 -6.954 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.842 -6.700 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.152 -7.578 -3.383 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.553 -9.298 -5.654 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.011 -10.520 -2.530 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.250 -11.071 -4.914 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.487 -4.442 -4.552 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.738 -3.705 -4.739 1.00 0.00 C ATOM 1031 C LEU A 61 -4.469 -2.352 -5.388 1.00 0.00 C ATOM 1032 O LEU A 61 -5.247 -1.889 -6.223 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.451 -3.510 -3.389 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.856 -4.451 -2.332 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.613 -3.804 -1.708 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.899 -4.709 -1.240 1.00 0.00 C ATOM 0 H LEU A 61 -2.761 -3.928 -4.052 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.384 -4.286 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.350 -2.475 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.517 -3.706 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.575 -5.394 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.192 -4.474 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.871 -3.617 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.891 -2.861 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.480 -5.377 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.177 -3.765 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.783 -5.169 -1.682 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.364 -1.728 -5.007 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.004 -0.429 -5.564 1.00 0.00 C ATOM 1050 C ALA A 62 -2.996 -0.482 -7.089 1.00 0.00 C ATOM 1051 O ALA A 62 -3.292 0.509 -7.756 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.620 -0.013 -5.063 1.00 0.00 C ATOM 0 H ALA A 62 -2.705 -2.095 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.745 0.301 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.358 0.958 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.632 0.053 -3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.883 -0.754 -5.373 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.638 -1.640 -7.632 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.573 -1.810 -9.079 1.00 0.00 C ATOM 1060 C GLU A 63 -3.963 -1.781 -9.707 1.00 0.00 C ATOM 1061 O GLU A 63 -4.203 -2.439 -10.720 1.00 0.00 O ATOM 1062 CB GLU A 63 -1.896 -3.139 -9.411 1.00 0.00 C ATOM 1063 CG GLU A 63 -2.603 -4.266 -8.657 1.00 0.00 C ATOM 1064 CD GLU A 63 -1.970 -5.608 -9.006 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -2.631 -6.617 -8.825 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -0.833 -5.608 -9.448 1.00 0.00 O ATOM 0 H GLU A 63 -2.389 -2.471 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.995 -0.982 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.936 -3.323 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.843 -3.104 -9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.537 -4.093 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.662 -4.277 -8.914 1.00 0.00 H new ATOM 1073 N SER A 64 -4.876 -1.014 -9.112 1.00 0.00 N ATOM 1074 CA SER A 64 -6.234 -0.915 -9.644 1.00 0.00 C ATOM 1075 C SER A 64 -6.582 0.541 -9.941 1.00 0.00 C ATOM 1076 O SER A 64 -7.245 0.838 -10.934 1.00 0.00 O ATOM 1077 CB SER A 64 -7.239 -1.500 -8.653 1.00 0.00 C ATOM 1078 OG SER A 64 -7.503 -0.547 -7.633 1.00 0.00 O ATOM 0 H SER A 64 -4.704 -0.460 -8.273 1.00 0.00 H new ATOM 0 HA SER A 64 -6.283 -1.486 -10.571 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.163 -1.764 -9.168 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.844 -2.417 -8.216 1.00 0.00 H new ATOM 0 HG SER A 64 -8.260 -0.850 -7.090 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.120 1.447 -9.084 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.380 2.869 -9.285 1.00 0.00 C ATOM 1086 C LEU A 65 -5.265 3.481 -10.124 1.00 0.00 C ATOM 1087 O LEU A 65 -5.481 4.442 -10.863 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.465 3.591 -7.936 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.216 4.921 -8.111 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.720 4.693 -7.937 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.737 5.924 -7.060 1.00 0.00 C ATOM 0 H LEU A 65 -5.570 1.226 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.331 2.982 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.980 2.964 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.464 3.775 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.019 5.312 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.248 5.638 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.069 3.981 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.915 4.297 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.271 6.866 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.931 5.527 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.667 6.094 -7.181 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.070 2.911 -9.999 1.00 0.00 N ATOM 1104 CA TYR A 66 -2.908 3.390 -10.740 1.00 0.00 C ATOM 1105 C TYR A 66 -2.376 2.286 -11.649 1.00 0.00 C ATOM 1106 O TYR A 66 -1.185 1.974 -11.629 1.00 0.00 O ATOM 1107 CB TYR A 66 -1.807 3.806 -9.763 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.201 5.078 -9.048 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.297 6.280 -9.757 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.457 5.055 -7.671 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.651 7.459 -9.089 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -2.813 6.232 -7.005 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.908 7.435 -7.713 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.255 8.597 -7.057 1.00 0.00 O ATOM 0 H TYR A 66 -3.881 2.115 -9.390 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.207 4.246 -11.345 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.634 3.011 -9.038 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.871 3.957 -10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.098 6.299 -10.818 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.379 4.127 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.726 8.387 -9.636 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.015 6.212 -5.944 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.400 8.405 -6.107 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.271 1.695 -12.437 1.00 0.00 N ATOM 1125 CA GLU A 67 -2.898 0.615 -13.351 1.00 0.00 C ATOM 1126 C GLU A 67 -1.464 0.787 -13.850 1.00 0.00 C ATOM 1127 O GLU A 67 -1.169 1.704 -14.617 1.00 0.00 O ATOM 1128 CB GLU A 67 -3.860 0.589 -14.542 1.00 0.00 C ATOM 1129 CG GLU A 67 -4.202 2.023 -14.954 1.00 0.00 C ATOM 1130 CD GLU A 67 -5.062 2.012 -16.213 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -4.532 2.308 -17.272 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -6.239 1.709 -16.100 1.00 0.00 O ATOM 0 H GLU A 67 -4.260 1.945 -12.462 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.961 -0.328 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.406 0.058 -15.378 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.769 0.049 -14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.733 2.526 -14.145 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.287 2.587 -15.134 1.00 0.00 H new ATOM 1139 N GLY A 68 -0.579 -0.104 -13.408 1.00 0.00 N ATOM 1140 CA GLY A 68 0.824 -0.052 -13.812 1.00 0.00 C ATOM 1141 C GLY A 68 1.737 0.063 -12.595 1.00 0.00 C ATOM 1142 O GLY A 68 2.954 0.180 -12.731 1.00 0.00 O ATOM 0 H GLY A 68 -0.808 -0.868 -12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.077 -0.948 -14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.985 0.799 -14.474 1.00 0.00 H new ATOM 1146 N ILE A 69 1.141 0.029 -11.406 1.00 0.00 N ATOM 1147 CA ILE A 69 1.912 0.133 -10.175 1.00 0.00 C ATOM 1148 C ILE A 69 3.130 -0.784 -10.214 1.00 0.00 C ATOM 1149 O ILE A 69 3.011 -1.990 -10.432 1.00 0.00 O ATOM 1150 CB ILE A 69 1.027 -0.232 -8.977 1.00 0.00 C ATOM 1151 CG1 ILE A 69 0.078 0.936 -8.670 1.00 0.00 C ATOM 1152 CG2 ILE A 69 1.899 -0.528 -7.750 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.758 1.936 -7.726 1.00 0.00 C ATOM 0 H ILE A 69 0.135 -0.069 -11.271 1.00 0.00 H new ATOM 0 HA ILE A 69 2.260 1.161 -10.074 1.00 0.00 H new ATOM 0 HB ILE A 69 0.445 -1.121 -9.218 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.208 1.435 -9.596 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.838 0.560 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.262 -0.786 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.566 -1.362 -7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.490 0.354 -7.503 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.076 2.760 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.021 1.436 -6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.661 2.324 -8.197 1.00 0.00 H new ATOM 1165 N LYS A 70 4.299 -0.199 -9.985 1.00 0.00 N ATOM 1166 CA LYS A 70 5.543 -0.959 -9.975 1.00 0.00 C ATOM 1167 C LYS A 70 5.781 -1.535 -8.583 1.00 0.00 C ATOM 1168 O LYS A 70 6.319 -2.632 -8.434 1.00 0.00 O ATOM 1169 CB LYS A 70 6.714 -0.041 -10.364 1.00 0.00 C ATOM 1170 CG LYS A 70 7.589 -0.720 -11.425 1.00 0.00 C ATOM 1171 CD LYS A 70 8.283 -1.942 -10.817 1.00 0.00 C ATOM 1172 CE LYS A 70 9.363 -2.449 -11.779 1.00 0.00 C ATOM 1173 NZ LYS A 70 9.646 -3.884 -11.491 1.00 0.00 N ATOM 0 H LYS A 70 4.412 0.798 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 70 5.472 -1.775 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.332 0.905 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.312 0.191 -9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.978 -1.023 -12.275 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.332 -0.017 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.730 -1.680 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.554 -2.729 -10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.031 -2.332 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.272 -1.858 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.379 -4.231 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.980 -3.982 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.777 -4.442 -11.619 1.00 0.00 H new ATOM 1187 N SER A 71 5.371 -0.778 -7.567 1.00 0.00 N ATOM 1188 CA SER A 71 5.533 -1.204 -6.182 1.00 0.00 C ATOM 1189 C SER A 71 5.112 -0.084 -5.229 1.00 0.00 C ATOM 1190 O SER A 71 4.570 0.936 -5.653 1.00 0.00 O ATOM 1191 CB SER A 71 6.994 -1.586 -5.920 1.00 0.00 C ATOM 1192 OG SER A 71 7.200 -2.940 -6.302 1.00 0.00 O ATOM 0 H SER A 71 4.925 0.132 -7.679 1.00 0.00 H new ATOM 0 HA SER A 71 4.898 -2.072 -6.007 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.660 -0.932 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.233 -1.453 -4.865 1.00 0.00 H new ATOM 0 HG SER A 71 6.760 -3.108 -7.161 1.00 0.00 H new ATOM 1198 N VAL A 72 5.374 -0.283 -3.940 1.00 0.00 N ATOM 1199 CA VAL A 72 5.029 0.711 -2.922 1.00 0.00 C ATOM 1200 C VAL A 72 6.057 0.680 -1.795 1.00 0.00 C ATOM 1201 O VAL A 72 6.583 -0.380 -1.454 1.00 0.00 O ATOM 1202 CB VAL A 72 3.634 0.428 -2.358 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.125 1.658 -1.604 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.674 0.098 -3.504 1.00 0.00 C ATOM 0 H VAL A 72 5.824 -1.122 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 72 5.031 1.699 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 72 3.687 -0.419 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.132 1.454 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.806 1.890 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.074 2.507 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.682 -0.103 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.622 0.943 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.034 -0.781 -4.038 1.00 0.00 H new ATOM 1214 N ASN A 73 6.348 1.850 -1.226 1.00 0.00 N ATOM 1215 CA ASN A 73 7.329 1.927 -0.146 1.00 0.00 C ATOM 1216 C ASN A 73 7.166 3.202 0.683 1.00 0.00 C ATOM 1217 O ASN A 73 6.625 4.208 0.217 1.00 0.00 O ATOM 1218 CB ASN A 73 8.742 1.878 -0.730 1.00 0.00 C ATOM 1219 CG ASN A 73 9.757 1.616 0.378 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.878 2.411 1.311 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.500 0.544 0.332 1.00 0.00 N ATOM 0 H ASN A 73 5.927 2.741 -1.489 1.00 0.00 H new ATOM 0 HA ASN A 73 7.163 1.075 0.513 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.805 1.094 -1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.971 2.820 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.182 0.364 1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.399 -0.114 -0.441 1.00 0.00 H new ATOM 1228 N PHE A 74 7.653 3.138 1.920 1.00 0.00 N ATOM 1229 CA PHE A 74 7.588 4.269 2.843 1.00 0.00 C ATOM 1230 C PHE A 74 8.928 4.422 3.556 1.00 0.00 C ATOM 1231 O PHE A 74 9.629 3.440 3.796 1.00 0.00 O ATOM 1232 CB PHE A 74 6.469 4.049 3.877 1.00 0.00 C ATOM 1233 CG PHE A 74 5.688 2.801 3.528 1.00 0.00 C ATOM 1234 CD1 PHE A 74 4.330 2.891 3.197 1.00 0.00 C ATOM 1235 CD2 PHE A 74 6.325 1.555 3.537 1.00 0.00 C ATOM 1236 CE1 PHE A 74 3.611 1.734 2.874 1.00 0.00 C ATOM 1237 CE2 PHE A 74 5.607 0.399 3.213 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.250 0.488 2.882 1.00 0.00 C ATOM 0 H PHE A 74 8.100 2.308 2.309 1.00 0.00 H new ATOM 0 HA PHE A 74 7.370 5.176 2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.897 3.954 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.804 4.912 3.896 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.838 3.852 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.372 1.486 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.564 1.802 2.619 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.100 -0.562 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.696 -0.405 2.633 1.00 0.00 H new ATOM 1248 N VAL A 75 9.280 5.657 3.887 1.00 0.00 N ATOM 1249 CA VAL A 75 10.542 5.924 4.568 1.00 0.00 C ATOM 1250 C VAL A 75 10.385 7.091 5.533 1.00 0.00 C ATOM 1251 O VAL A 75 9.292 7.338 6.034 1.00 0.00 O ATOM 1252 CB VAL A 75 11.626 6.241 3.539 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.737 5.084 2.544 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.253 7.522 2.790 1.00 0.00 C ATOM 0 H VAL A 75 8.715 6.485 3.697 1.00 0.00 H new ATOM 0 HA VAL A 75 10.832 5.039 5.135 1.00 0.00 H new ATOM 0 HB VAL A 75 12.582 6.378 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.510 5.309 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.998 4.170 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.782 4.948 2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.024 7.751 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.298 7.382 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.170 8.346 3.498 1.00 0.00 H new ATOM 1264 N ASN A 76 11.476 7.806 5.792 1.00 0.00 N ATOM 1265 CA ASN A 76 11.425 8.947 6.703 1.00 0.00 C ATOM 1266 C ASN A 76 11.655 10.251 5.961 1.00 0.00 C ATOM 1267 O ASN A 76 11.970 10.273 4.772 1.00 0.00 O ATOM 1268 CB ASN A 76 12.473 8.811 7.805 1.00 0.00 C ATOM 1269 CG ASN A 76 12.490 10.060 8.680 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.384 10.898 8.551 1.00 0.00 O ATOM 1271 ND2 ASN A 76 11.551 10.237 9.568 1.00 0.00 N ATOM 0 H ASN A 76 12.395 7.620 5.391 1.00 0.00 H new ATOM 0 HA ASN A 76 10.430 8.959 7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.256 7.934 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.457 8.656 7.363 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.556 11.070 10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.812 9.542 9.674 1.00 0.00 H new ATOM 1278 N GLU A 77 11.464 11.332 6.691 1.00 0.00 N ATOM 1279 CA GLU A 77 11.610 12.675 6.145 1.00 0.00 C ATOM 1280 C GLU A 77 12.776 12.765 5.166 1.00 0.00 C ATOM 1281 O GLU A 77 12.574 12.877 3.956 1.00 0.00 O ATOM 1282 CB GLU A 77 11.825 13.677 7.282 1.00 0.00 C ATOM 1283 CG GLU A 77 10.538 13.805 8.099 1.00 0.00 C ATOM 1284 CD GLU A 77 9.474 14.534 7.284 1.00 0.00 C ATOM 1285 OE1 GLU A 77 8.311 14.433 7.640 1.00 0.00 O ATOM 1286 OE2 GLU A 77 9.838 15.183 6.317 1.00 0.00 O ATOM 0 H GLU A 77 11.204 11.309 7.677 1.00 0.00 H new ATOM 0 HA GLU A 77 10.694 12.912 5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.643 13.347 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.109 14.648 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.177 12.816 8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.736 14.348 9.023 1.00 0.00 H new ATOM 1293 N GLN A 78 13.994 12.738 5.694 1.00 0.00 N ATOM 1294 CA GLN A 78 15.184 12.842 4.854 1.00 0.00 C ATOM 1295 C GLN A 78 15.130 11.849 3.701 1.00 0.00 C ATOM 1296 O GLN A 78 15.308 12.221 2.541 1.00 0.00 O ATOM 1297 CB GLN A 78 16.441 12.592 5.690 1.00 0.00 C ATOM 1298 CG GLN A 78 16.553 13.660 6.779 1.00 0.00 C ATOM 1299 CD GLN A 78 17.883 13.521 7.510 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.677 14.461 7.541 1.00 0.00 O ATOM 1301 NE2 GLN A 78 18.177 12.397 8.103 1.00 0.00 N ATOM 0 H GLN A 78 14.184 12.646 6.692 1.00 0.00 H new ATOM 0 HA GLN A 78 15.217 13.850 4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.399 11.601 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.325 12.614 5.052 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.474 14.653 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.728 13.560 7.485 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.518 11.619 8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.066 12.296 8.593 1.00 0.00 H new ATOM 1310 N ASP A 79 14.887 10.586 4.019 1.00 0.00 N ATOM 1311 CA ASP A 79 14.817 9.560 2.987 1.00 0.00 C ATOM 1312 C ASP A 79 13.857 9.991 1.881 1.00 0.00 C ATOM 1313 O ASP A 79 14.269 10.207 0.737 1.00 0.00 O ATOM 1314 CB ASP A 79 14.355 8.238 3.595 1.00 0.00 C ATOM 1315 CG ASP A 79 15.487 7.607 4.398 1.00 0.00 C ATOM 1316 OD1 ASP A 79 16.501 8.263 4.571 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.325 6.476 4.828 1.00 0.00 O ATOM 0 H ASP A 79 14.737 10.249 4.970 1.00 0.00 H new ATOM 0 HA ASP A 79 15.810 9.424 2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.492 8.407 4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.035 7.558 2.806 1.00 0.00 H new ATOM 1322 N PHE A 80 12.579 10.131 2.226 1.00 0.00 N ATOM 1323 CA PHE A 80 11.579 10.555 1.252 1.00 0.00 C ATOM 1324 C PHE A 80 12.133 11.696 0.405 1.00 0.00 C ATOM 1325 O PHE A 80 11.989 11.706 -0.818 1.00 0.00 O ATOM 1326 CB PHE A 80 10.316 11.011 1.992 1.00 0.00 C ATOM 1327 CG PHE A 80 9.415 11.801 1.068 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.763 11.162 0.008 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.226 13.174 1.278 1.00 0.00 C ATOM 1330 CE1 PHE A 80 7.923 11.893 -0.840 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.388 13.904 0.429 1.00 0.00 C ATOM 1332 CZ PHE A 80 7.736 13.264 -0.630 1.00 0.00 C ATOM 0 H PHE A 80 12.215 9.959 3.163 1.00 0.00 H new ATOM 0 HA PHE A 80 11.331 9.721 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.780 10.143 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.592 11.623 2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.908 10.104 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.728 13.669 2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.419 11.399 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.244 14.962 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.089 13.828 -1.285 1.00 0.00 H new ATOM 1342 N PHE A 81 12.780 12.650 1.070 1.00 0.00 N ATOM 1343 CA PHE A 81 13.370 13.787 0.375 1.00 0.00 C ATOM 1344 C PHE A 81 14.353 13.296 -0.681 1.00 0.00 C ATOM 1345 O PHE A 81 14.123 13.456 -1.880 1.00 0.00 O ATOM 1346 CB PHE A 81 14.091 14.697 1.384 1.00 0.00 C ATOM 1347 CG PHE A 81 13.339 16.001 1.529 1.00 0.00 C ATOM 1348 CD1 PHE A 81 12.749 16.340 2.753 1.00 0.00 C ATOM 1349 CD2 PHE A 81 13.232 16.870 0.437 1.00 0.00 C ATOM 1350 CE1 PHE A 81 12.052 17.547 2.884 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.535 18.077 0.567 1.00 0.00 C ATOM 1352 CZ PHE A 81 11.945 18.416 1.791 1.00 0.00 C ATOM 0 H PHE A 81 12.908 12.657 2.082 1.00 0.00 H new ATOM 0 HA PHE A 81 12.580 14.356 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.162 14.198 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.110 14.890 1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.832 15.670 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 81 13.688 16.609 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.597 17.808 3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 81 12.452 18.747 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 81 11.408 19.347 1.892 1.00 0.00 H new ATOM 1362 N PHE A 82 15.449 12.694 -0.223 1.00 0.00 N ATOM 1363 CA PHE A 82 16.473 12.173 -1.125 1.00 0.00 C ATOM 1364 C PHE A 82 15.860 11.692 -2.436 1.00 0.00 C ATOM 1365 O PHE A 82 16.462 11.833 -3.501 1.00 0.00 O ATOM 1366 CB PHE A 82 17.206 11.009 -0.454 1.00 0.00 C ATOM 1367 CG PHE A 82 18.350 10.560 -1.333 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.510 11.338 -1.426 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.251 9.363 -2.054 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.570 10.921 -2.241 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.311 8.947 -2.868 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.470 9.725 -2.962 1.00 0.00 C ATOM 0 H PHE A 82 15.650 12.555 0.767 1.00 0.00 H new ATOM 0 HA PHE A 82 17.173 12.979 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.582 11.316 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.517 10.181 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.588 12.260 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.357 8.761 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.464 11.522 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.234 8.024 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.287 9.403 -3.590 1.00 0.00 H new ATOM 1382 N ASN A 83 14.663 11.120 -2.352 1.00 0.00 N ATOM 1383 CA ASN A 83 13.984 10.618 -3.542 1.00 0.00 C ATOM 1384 C ASN A 83 13.309 11.754 -4.308 1.00 0.00 C ATOM 1385 O ASN A 83 13.540 11.930 -5.504 1.00 0.00 O ATOM 1386 CB ASN A 83 12.938 9.575 -3.145 1.00 0.00 C ATOM 1387 CG ASN A 83 12.213 9.064 -4.386 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.051 9.401 -4.610 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.834 8.267 -5.212 1.00 0.00 N ATOM 0 H ASN A 83 14.147 10.993 -1.481 1.00 0.00 H new ATOM 0 HA ASN A 83 14.731 10.159 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.419 8.745 -2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.222 10.013 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.356 7.923 -6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.797 7.989 -5.025 1.00 0.00 H new ATOM 1396 N LEU A 84 12.473 12.522 -3.616 1.00 0.00 N ATOM 1397 CA LEU A 84 11.774 13.633 -4.251 1.00 0.00 C ATOM 1398 C LEU A 84 12.751 14.766 -4.543 1.00 0.00 C ATOM 1399 O LEU A 84 12.462 15.664 -5.330 1.00 0.00 O ATOM 1400 CB LEU A 84 10.624 14.116 -3.344 1.00 0.00 C ATOM 1401 CG LEU A 84 11.014 15.401 -2.587 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.857 16.631 -3.499 1.00 0.00 C ATOM 1403 CD2 LEU A 84 10.107 15.561 -1.363 1.00 0.00 C ATOM 0 H LEU A 84 12.265 12.397 -2.625 1.00 0.00 H new ATOM 0 HA LEU A 84 11.348 13.298 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.735 14.301 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 84 10.367 13.334 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 84 12.055 15.324 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.136 17.530 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.503 16.523 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.820 16.713 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.379 16.469 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.068 15.629 -1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.227 14.700 -0.706 1.00 0.00 H new ATOM 1415 N ALA A 85 13.910 14.711 -3.902 1.00 0.00 N ATOM 1416 CA ALA A 85 14.925 15.733 -4.100 1.00 0.00 C ATOM 1417 C ALA A 85 15.543 15.609 -5.489 1.00 0.00 C ATOM 1418 O ALA A 85 16.375 16.425 -5.883 1.00 0.00 O ATOM 1419 CB ALA A 85 16.017 15.601 -3.038 1.00 0.00 C ATOM 0 H ALA A 85 14.169 13.975 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 85 14.452 16.711 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 85 16.772 16.371 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.578 15.720 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.481 14.617 -3.113 1.00 0.00 H new ATOM 1425 N LYS A 86 15.134 14.579 -6.228 1.00 0.00 N ATOM 1426 CA LYS A 86 15.656 14.352 -7.567 1.00 0.00 C ATOM 1427 C LYS A 86 14.556 13.835 -8.486 1.00 0.00 C ATOM 1428 O LYS A 86 14.453 12.635 -8.738 1.00 0.00 O ATOM 1429 CB LYS A 86 16.795 13.335 -7.522 1.00 0.00 C ATOM 1430 CG LYS A 86 17.576 13.402 -8.834 1.00 0.00 C ATOM 1431 CD LYS A 86 18.729 12.399 -8.797 1.00 0.00 C ATOM 1432 CE LYS A 86 19.702 12.695 -9.939 1.00 0.00 C ATOM 1433 NZ LYS A 86 18.941 12.876 -11.207 1.00 0.00 N ATOM 0 H LYS A 86 14.445 13.893 -5.920 1.00 0.00 H new ATOM 0 HA LYS A 86 16.030 15.300 -7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.455 13.546 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.397 12.331 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.916 13.182 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.962 14.410 -8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.247 12.460 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.344 11.383 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.278 13.594 -9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.415 11.877 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.529 12.576 -12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.075 12.301 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.687 13.878 -11.319 1.00 0.00 H new ATOM 1447 N LEU A 87 13.741 14.751 -8.981 1.00 0.00 N ATOM 1448 CA LEU A 87 12.646 14.389 -9.874 1.00 0.00 C ATOM 1449 C LEU A 87 13.162 14.198 -11.297 1.00 0.00 C ATOM 1450 O LEU A 87 12.446 13.698 -12.164 1.00 0.00 O ATOM 1451 CB LEU A 87 11.564 15.477 -9.873 1.00 0.00 C ATOM 1452 CG LEU A 87 11.256 15.937 -8.439 1.00 0.00 C ATOM 1453 CD1 LEU A 87 11.124 14.719 -7.519 1.00 0.00 C ATOM 1454 CD2 LEU A 87 12.375 16.858 -7.923 1.00 0.00 C ATOM 0 H LEU A 87 13.814 15.749 -8.782 1.00 0.00 H new ATOM 0 HA LEU A 87 12.215 13.455 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.896 16.327 -10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.656 15.095 -10.340 1.00 0.00 H new ATOM 0 HG LEU A 87 10.317 16.490 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.906 15.052 -6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.315 14.081 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.058 14.157 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.144 17.177 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 87 13.322 16.318 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.453 17.733 -8.568 1.00 0.00 H new ATOM 1466 N GLU A 88 14.407 14.603 -11.526 1.00 0.00 N ATOM 1467 CA GLU A 88 15.012 14.479 -12.849 1.00 0.00 C ATOM 1468 C GLU A 88 14.672 13.130 -13.478 1.00 0.00 C ATOM 1469 O GLU A 88 13.594 12.953 -14.045 1.00 0.00 O ATOM 1470 CB GLU A 88 16.531 14.625 -12.738 1.00 0.00 C ATOM 1471 CG GLU A 88 16.872 16.012 -12.187 1.00 0.00 C ATOM 1472 CD GLU A 88 18.382 16.223 -12.206 1.00 0.00 C ATOM 1473 OE1 GLU A 88 19.062 15.444 -12.853 1.00 0.00 O ATOM 1474 OE2 GLU A 88 18.836 17.160 -11.571 1.00 0.00 O ATOM 0 H GLU A 88 15.014 15.017 -10.819 1.00 0.00 H new ATOM 0 HA GLU A 88 14.613 15.269 -13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.934 13.853 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.993 14.487 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.381 16.781 -12.784 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.495 16.111 -11.169 1.00 0.00 H new ATOM 1481 N GLU A 89 15.600 12.184 -13.378 1.00 0.00 N ATOM 1482 CA GLU A 89 15.387 10.856 -13.943 1.00 0.00 C ATOM 1483 C GLU A 89 15.086 10.949 -15.436 1.00 0.00 C ATOM 1484 O GLU A 89 14.840 9.938 -16.092 1.00 0.00 O ATOM 1485 CB GLU A 89 14.224 10.165 -13.228 1.00 0.00 C ATOM 1486 CG GLU A 89 14.438 10.239 -11.715 1.00 0.00 C ATOM 1487 CD GLU A 89 15.728 9.521 -11.336 1.00 0.00 C ATOM 1488 OE1 GLU A 89 16.309 9.880 -10.325 1.00 0.00 O ATOM 1489 OE2 GLU A 89 16.118 8.622 -12.063 1.00 0.00 O ATOM 0 H GLU A 89 16.500 12.310 -12.915 1.00 0.00 H new ATOM 0 HA GLU A 89 16.297 10.273 -13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.282 10.644 -13.497 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.155 9.125 -13.546 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.484 11.280 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.593 9.785 -11.197 1.00 0.00 H new ATOM 1496 N ASN A 90 15.106 12.169 -15.965 1.00 0.00 N ATOM 1497 CA ASN A 90 14.833 12.383 -17.383 1.00 0.00 C ATOM 1498 C ASN A 90 13.678 11.499 -17.847 1.00 0.00 C ATOM 1499 O ASN A 90 12.895 11.008 -17.034 1.00 0.00 O ATOM 1500 CB ASN A 90 16.085 12.070 -18.208 1.00 0.00 C ATOM 1501 CG ASN A 90 16.009 12.761 -19.566 1.00 0.00 C ATOM 1502 OD1 ASN A 90 14.929 13.415 -19.899 1.00 0.00 O flip ATOM 1503 ND2 ASN A 90 16.960 12.705 -20.346 1.00 0.00 N flip ATOM 0 H ASN A 90 15.307 13.019 -15.438 1.00 0.00 H new ATOM 0 HA ASN A 90 14.555 13.427 -17.528 1.00 0.00 H new ATOM 0 HB2 ASN A 90 16.974 12.402 -17.672 1.00 0.00 H new ATOM 0 HB3 ASN A 90 16.179 10.993 -18.345 1.00 0.00 H new ATOM 0 HD21 ASN A 90 17.804 12.194 -20.086 1.00 0.00 H new ATOM 0 HD22 ASN A 90 16.904 13.170 -21.252 1.00 0.00 H new ATOM 1510 N SER A 91 13.580 11.300 -19.158 1.00 0.00 N ATOM 1511 CA SER A 91 12.519 10.472 -19.717 1.00 0.00 C ATOM 1512 C SER A 91 12.447 10.645 -21.231 1.00 0.00 C ATOM 1513 O SER A 91 11.750 9.900 -21.918 1.00 0.00 O ATOM 1514 CB SER A 91 11.173 10.849 -19.094 1.00 0.00 C ATOM 1515 OG SER A 91 10.133 10.589 -20.028 1.00 0.00 O ATOM 0 H SER A 91 14.218 11.698 -19.848 1.00 0.00 H new ATOM 0 HA SER A 91 12.742 9.429 -19.490 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.009 10.277 -18.181 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.171 11.903 -18.814 1.00 0.00 H new ATOM 0 HG SER A 91 9.270 10.828 -19.631 1.00 0.00 H new ATOM 1521 N ARG A 92 13.173 11.633 -21.739 1.00 0.00 N ATOM 1522 CA ARG A 92 13.192 11.902 -23.175 1.00 0.00 C ATOM 1523 C ARG A 92 13.966 13.186 -23.465 1.00 0.00 C ATOM 1524 O ARG A 92 13.552 14.276 -23.070 1.00 0.00 O ATOM 1525 CB ARG A 92 11.753 12.029 -23.709 1.00 0.00 C ATOM 1526 CG ARG A 92 11.452 10.884 -24.682 1.00 0.00 C ATOM 1527 CD ARG A 92 9.956 10.865 -25.001 1.00 0.00 C ATOM 1528 NE ARG A 92 9.502 12.201 -25.367 1.00 0.00 N ATOM 1529 CZ ARG A 92 8.239 12.426 -25.720 1.00 0.00 C ATOM 1530 NH1 ARG A 92 7.383 11.442 -25.740 1.00 0.00 N ATOM 1531 NH2 ARG A 92 7.859 13.631 -26.044 1.00 0.00 N ATOM 0 H ARG A 92 13.755 12.260 -21.183 1.00 0.00 H new ATOM 0 HA ARG A 92 13.687 11.071 -23.677 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.046 12.008 -22.880 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.626 12.988 -24.212 1.00 0.00 H new ATOM 0 HG2 ARG A 92 12.028 11.010 -25.598 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.753 9.932 -24.245 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.760 10.170 -25.817 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.397 10.507 -24.136 1.00 0.00 H new ATOM 0 HE ARG A 92 10.164 12.977 -25.352 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.682 10.501 -25.485 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.415 11.614 -26.010 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.530 14.399 -26.027 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.891 13.805 -26.315 1.00 0.00 H new ATOM 1545 N ASP A 93 15.089 13.049 -24.162 1.00 0.00 N ATOM 1546 CA ASP A 93 15.913 14.203 -24.506 1.00 0.00 C ATOM 1547 C ASP A 93 16.087 15.120 -23.297 1.00 0.00 C ATOM 1548 O ASP A 93 16.250 14.654 -22.170 1.00 0.00 O ATOM 1549 CB ASP A 93 15.263 14.982 -25.652 1.00 0.00 C ATOM 1550 CG ASP A 93 16.292 15.894 -26.313 1.00 0.00 C ATOM 1551 OD1 ASP A 93 16.052 16.310 -27.434 1.00 0.00 O ATOM 1552 OD2 ASP A 93 17.304 16.163 -25.687 1.00 0.00 O ATOM 0 H ASP A 93 15.448 12.156 -24.498 1.00 0.00 H new ATOM 0 HA ASP A 93 16.894 13.846 -24.818 1.00 0.00 H new ATOM 0 HB2 ASP A 93 14.853 14.289 -26.387 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.430 15.574 -25.273 1.00 0.00 H new ATOM 1557 N THR A 94 16.053 16.426 -23.543 1.00 0.00 N ATOM 1558 CA THR A 94 16.209 17.403 -22.471 1.00 0.00 C ATOM 1559 C THR A 94 15.219 17.127 -21.343 1.00 0.00 C ATOM 1560 O THR A 94 14.465 16.156 -21.389 1.00 0.00 O ATOM 1561 CB THR A 94 15.985 18.815 -23.014 1.00 0.00 C ATOM 1562 OG1 THR A 94 16.180 19.759 -21.971 1.00 0.00 O ATOM 1563 CG2 THR A 94 14.559 18.936 -23.555 1.00 0.00 C ATOM 0 H THR A 94 15.920 16.831 -24.470 1.00 0.00 H new ATOM 0 HA THR A 94 17.222 17.321 -22.077 1.00 0.00 H new ATOM 0 HB THR A 94 16.694 19.011 -23.819 1.00 0.00 H new ATOM 0 HG1 THR A 94 17.053 19.607 -21.552 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.401 19.943 -23.942 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.411 18.212 -24.356 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.848 18.739 -22.753 1.00 0.00 H new ATOM 1571 N LEU A 95 15.228 17.991 -20.332 1.00 0.00 N ATOM 1572 CA LEU A 95 14.327 17.834 -19.197 1.00 0.00 C ATOM 1573 C LEU A 95 13.001 18.539 -19.469 1.00 0.00 C ATOM 1574 O LEU A 95 12.716 18.927 -20.603 1.00 0.00 O ATOM 1575 CB LEU A 95 14.961 18.419 -17.928 1.00 0.00 C ATOM 1576 CG LEU A 95 16.391 17.884 -17.746 1.00 0.00 C ATOM 1577 CD1 LEU A 95 16.401 16.361 -17.904 1.00 0.00 C ATOM 1578 CD2 LEU A 95 17.332 18.516 -18.786 1.00 0.00 C ATOM 0 H LEU A 95 15.845 18.801 -20.276 1.00 0.00 H new ATOM 0 HA LEU A 95 14.145 16.769 -19.052 1.00 0.00 H new ATOM 0 HB2 LEU A 95 14.979 19.507 -17.991 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.356 18.160 -17.059 1.00 0.00 H new ATOM 0 HG LEU A 95 16.738 18.147 -16.747 1.00 0.00 H new ATOM 0 HD11 LEU A 95 17.417 15.988 -17.774 1.00 0.00 H new ATOM 0 HD12 LEU A 95 15.751 15.913 -17.152 1.00 0.00 H new ATOM 0 HD13 LEU A 95 16.042 16.096 -18.898 1.00 0.00 H new ATOM 0 HD21 LEU A 95 18.341 18.129 -18.646 1.00 0.00 H new ATOM 0 HD22 LEU A 95 16.984 18.269 -19.789 1.00 0.00 H new ATOM 0 HD23 LEU A 95 17.338 19.599 -18.661 1.00 0.00 H new ATOM 1590 N TYR A 96 12.196 18.700 -18.423 1.00 0.00 N ATOM 1591 CA TYR A 96 10.900 19.360 -18.558 1.00 0.00 C ATOM 1592 C TYR A 96 11.005 20.829 -18.152 1.00 0.00 C ATOM 1593 O TYR A 96 9.999 21.471 -17.846 1.00 0.00 O ATOM 1594 CB TYR A 96 9.861 18.645 -17.679 1.00 0.00 C ATOM 1595 CG TYR A 96 8.815 17.985 -18.550 1.00 0.00 C ATOM 1596 CD1 TYR A 96 7.660 18.689 -18.909 1.00 0.00 C ATOM 1597 CD2 TYR A 96 9.005 16.672 -18.999 1.00 0.00 C ATOM 1598 CE1 TYR A 96 6.692 18.079 -19.717 1.00 0.00 C ATOM 1599 CE2 TYR A 96 8.037 16.063 -19.807 1.00 0.00 C ATOM 1600 CZ TYR A 96 6.882 16.766 -20.166 1.00 0.00 C ATOM 1601 OH TYR A 96 5.928 16.165 -20.962 1.00 0.00 O ATOM 0 H TYR A 96 12.415 18.385 -17.478 1.00 0.00 H new ATOM 0 HA TYR A 96 10.586 19.310 -19.601 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.352 17.897 -17.056 1.00 0.00 H new ATOM 0 HB3 TYR A 96 9.388 19.360 -17.006 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.515 19.702 -18.563 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.897 16.130 -18.722 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.800 18.621 -19.994 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.182 15.050 -20.153 1.00 0.00 H new ATOM 0 HH TYR A 96 6.215 15.255 -21.186 1.00 0.00 H new ATOM 1611 N GLN A 97 12.225 21.354 -18.151 1.00 0.00 N ATOM 1612 CA GLN A 97 12.446 22.747 -17.781 1.00 0.00 C ATOM 1613 C GLN A 97 13.786 23.240 -18.321 1.00 0.00 C ATOM 1614 O GLN A 97 14.833 23.014 -17.714 1.00 0.00 O ATOM 1615 CB GLN A 97 12.419 22.893 -16.256 1.00 0.00 C ATOM 1616 CG GLN A 97 13.102 21.683 -15.615 1.00 0.00 C ATOM 1617 CD GLN A 97 13.399 21.969 -14.146 1.00 0.00 C ATOM 1618 OE1 GLN A 97 13.146 23.073 -13.665 1.00 0.00 O ATOM 1619 NE2 GLN A 97 13.922 21.034 -13.402 1.00 0.00 N ATOM 0 H GLN A 97 13.070 20.841 -18.400 1.00 0.00 H new ATOM 0 HA GLN A 97 11.650 23.350 -18.217 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.927 23.810 -15.959 1.00 0.00 H new ATOM 0 HB3 GLN A 97 11.390 22.971 -15.906 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.461 20.806 -15.701 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.027 21.455 -16.144 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.131 20.120 -13.803 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.122 21.217 -12.419 1.00 0.00 H new ATOM 1628 N ASN A 98 13.746 23.915 -19.465 1.00 0.00 N ATOM 1629 CA ASN A 98 14.962 24.435 -20.078 1.00 0.00 C ATOM 1630 C ASN A 98 14.623 25.426 -21.187 1.00 0.00 C ATOM 1631 O ASN A 98 13.473 25.520 -21.617 1.00 0.00 O ATOM 1632 CB ASN A 98 15.791 23.285 -20.653 1.00 0.00 C ATOM 1633 CG ASN A 98 17.104 23.819 -21.215 1.00 0.00 C ATOM 1634 OD1 ASN A 98 17.302 23.827 -22.431 1.00 0.00 O ATOM 1635 ND2 ASN A 98 18.017 24.270 -20.400 1.00 0.00 N ATOM 0 H ASN A 98 12.890 24.114 -19.983 1.00 0.00 H new ATOM 0 HA ASN A 98 15.540 24.951 -19.311 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.992 22.547 -19.877 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.230 22.778 -21.438 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.897 24.630 -20.769 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.851 24.262 -19.394 1.00 0.00 H new ATOM 1642 N SER A 99 15.630 26.161 -21.645 1.00 0.00 N ATOM 1643 CA SER A 99 15.426 27.143 -22.705 1.00 0.00 C ATOM 1644 C SER A 99 16.757 27.531 -23.339 1.00 0.00 C ATOM 1645 O SER A 99 16.926 28.654 -23.816 1.00 0.00 O ATOM 1646 CB SER A 99 14.746 28.389 -22.138 1.00 0.00 C ATOM 1647 OG SER A 99 15.581 28.968 -21.144 1.00 0.00 O ATOM 0 H SER A 99 16.589 26.097 -21.303 1.00 0.00 H new ATOM 0 HA SER A 99 14.789 26.698 -23.469 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.557 29.108 -22.935 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.779 28.126 -21.709 1.00 0.00 H new ATOM 0 HG SER A 99 15.149 29.768 -20.779 1.00 0.00 H new ATOM 1653 N GLY A 100 17.701 26.595 -23.343 1.00 0.00 N ATOM 1654 CA GLY A 100 19.015 26.850 -23.922 1.00 0.00 C ATOM 1655 C GLY A 100 19.874 27.682 -22.976 1.00 0.00 C ATOM 1656 O GLY A 100 19.307 28.414 -22.180 1.00 0.00 O ATOM 1657 OXT GLY A 100 21.086 27.576 -23.060 1.00 0.00 O ATOM 0 H GLY A 100 17.582 25.659 -22.955 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.513 25.904 -24.135 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.903 27.372 -24.872 1.00 0.00 H new TER 1661 GLY A 100