USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 799 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 68 SER OG : rot 118:sc= 0.66 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -1.75! C(o=-1.8!,f=-3.1!) USER MOD Set 2.2: A 37 TYR OH : rot 180:sc= -0.079 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0998 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.215 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00228 USER MOD Single : A 11 SER OG : rot 54:sc= 0.288 USER MOD Single : A 12 SER OG : rot 57:sc= 0.49 USER MOD Single : A 13 TYR OH : rot -11:sc= 0.379 USER MOD Single : A 15 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.3!) USER MOD Single : A 19 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.5) USER MOD Single : A 20 SER OG : rot -53:sc= 0.322 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -33:sc= -1.19 USER MOD Single : A 28 SER OG : rot -160:sc= 0 USER MOD Single : A 32 ASN :FLIP amide:sc= -0.208 F(o=-2.6,f=-0.21) USER MOD Single : A 33 HIS : no HE2:sc= -2.21! C(o=-2.2!,f=-6.9!) USER MOD Single : A 38 GLN : amide:sc= -0.648 X(o=-0.65,f=-1) USER MOD Single : A 41 ASN : amide:sc= -0.0773 K(o=-0.077,f=-1.8!) USER MOD Single : A 43 SER OG : rot 66:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 SER OG : rot 46:sc= 0.881 USER MOD Single : A 55 CYS SG : rot 88:sc= -1.46! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.56 F(o=-1.6,f=-0.56) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-9.1!) USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= -0.122 (180deg=-0.891) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 11:sc=0.000423 USER MOD Single : A 86 SER OG : rot 18:sc= 1.65 USER MOD Single : A 89 MET CE :methyl -141:sc= -1.3 (180deg=-4.07!) USER MOD Single : A 91 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.00035) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 21:sc= 0.776 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 23:sc= 0.114 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.539 -18.095 4.351 1.00 0.00 N ATOM 2 CA GLY A 1 -20.030 -17.128 5.305 1.00 0.00 C ATOM 3 C GLY A 1 -19.780 -17.737 6.671 1.00 0.00 C ATOM 4 O GLY A 1 -19.799 -18.958 6.826 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.938 -18.095 3.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.533 -19.042 4.780 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.512 -17.842 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.101 -16.702 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.741 -16.308 5.401 1.00 0.00 H new ATOM 8 N SER A 2 -19.544 -16.885 7.663 1.00 0.00 N ATOM 9 CA SER A 2 -19.284 -17.346 9.022 1.00 0.00 C ATOM 10 C SER A 2 -19.364 -16.189 10.013 1.00 0.00 C ATOM 11 O SER A 2 -18.688 -15.173 9.854 1.00 0.00 O ATOM 12 CB SER A 2 -17.907 -18.009 9.103 1.00 0.00 C ATOM 13 OG SER A 2 -16.880 -17.093 8.766 1.00 0.00 O ATOM 0 H SER A 2 -19.527 -15.871 7.551 1.00 0.00 H new ATOM 0 HA SER A 2 -20.048 -18.078 9.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.742 -18.390 10.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.871 -18.865 8.428 1.00 0.00 H new ATOM 0 HG SER A 2 -17.180 -16.180 8.957 1.00 0.00 H new ATOM 19 N SER A 3 -20.195 -16.352 11.037 1.00 0.00 N ATOM 20 CA SER A 3 -20.367 -15.321 12.054 1.00 0.00 C ATOM 21 C SER A 3 -19.598 -15.675 13.323 1.00 0.00 C ATOM 22 O SER A 3 -19.276 -16.838 13.563 1.00 0.00 O ATOM 23 CB SER A 3 -21.851 -15.137 12.378 1.00 0.00 C ATOM 24 OG SER A 3 -22.455 -14.209 11.494 1.00 0.00 O ATOM 0 H SER A 3 -20.760 -17.188 11.185 1.00 0.00 H new ATOM 0 HA SER A 3 -19.970 -14.386 11.659 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.363 -16.097 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.962 -14.790 13.405 1.00 0.00 H new ATOM 0 HG SER A 3 -23.403 -14.111 11.721 1.00 0.00 H new ATOM 30 N GLY A 4 -19.306 -14.662 14.133 1.00 0.00 N ATOM 31 CA GLY A 4 -18.577 -14.885 15.367 1.00 0.00 C ATOM 32 C GLY A 4 -18.024 -13.602 15.955 1.00 0.00 C ATOM 33 O GLY A 4 -17.556 -12.728 15.224 1.00 0.00 O ATOM 0 H GLY A 4 -19.562 -13.691 13.956 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.236 -15.359 16.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.757 -15.578 15.180 1.00 0.00 H new ATOM 37 N SER A 5 -18.078 -13.486 17.278 1.00 0.00 N ATOM 38 CA SER A 5 -17.584 -12.298 17.962 1.00 0.00 C ATOM 39 C SER A 5 -16.070 -12.364 18.140 1.00 0.00 C ATOM 40 O SER A 5 -15.575 -12.722 19.209 1.00 0.00 O ATOM 41 CB SER A 5 -18.263 -12.149 19.325 1.00 0.00 C ATOM 42 OG SER A 5 -18.318 -10.789 19.722 1.00 0.00 O ATOM 0 H SER A 5 -18.459 -14.201 17.897 1.00 0.00 H new ATOM 0 HA SER A 5 -17.823 -11.430 17.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.272 -12.559 19.279 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.718 -12.727 20.071 1.00 0.00 H new ATOM 0 HG SER A 5 -18.758 -10.721 20.595 1.00 0.00 H new ATOM 48 N SER A 6 -15.341 -12.015 17.085 1.00 0.00 N ATOM 49 CA SER A 6 -13.883 -12.038 17.123 1.00 0.00 C ATOM 50 C SER A 6 -13.314 -10.629 16.985 1.00 0.00 C ATOM 51 O SER A 6 -14.050 -9.669 16.759 1.00 0.00 O ATOM 52 CB SER A 6 -13.337 -12.931 16.007 1.00 0.00 C ATOM 53 OG SER A 6 -13.460 -12.302 14.743 1.00 0.00 O ATOM 0 H SER A 6 -15.735 -11.713 16.194 1.00 0.00 H new ATOM 0 HA SER A 6 -13.576 -12.443 18.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.290 -13.162 16.201 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.876 -13.879 15.999 1.00 0.00 H new ATOM 0 HG SER A 6 -13.102 -12.893 14.048 1.00 0.00 H new ATOM 59 N GLY A 7 -11.997 -10.513 17.124 1.00 0.00 N ATOM 60 CA GLY A 7 -11.350 -9.218 17.012 1.00 0.00 C ATOM 61 C GLY A 7 -10.288 -9.192 15.932 1.00 0.00 C ATOM 62 O GLY A 7 -9.409 -10.055 15.893 1.00 0.00 O ATOM 0 H GLY A 7 -11.366 -11.292 17.312 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.101 -8.458 16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.897 -8.958 17.969 1.00 0.00 H new ATOM 66 N LEU A 8 -10.368 -8.203 15.049 1.00 0.00 N ATOM 67 CA LEU A 8 -9.406 -8.068 13.961 1.00 0.00 C ATOM 68 C LEU A 8 -8.543 -6.824 14.147 1.00 0.00 C ATOM 69 O LEU A 8 -8.908 -5.910 14.884 1.00 0.00 O ATOM 70 CB LEU A 8 -10.134 -8.002 12.616 1.00 0.00 C ATOM 71 CG LEU A 8 -9.290 -8.318 11.381 1.00 0.00 C ATOM 72 CD1 LEU A 8 -8.850 -9.774 11.393 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.067 -8.004 10.110 1.00 0.00 C ATOM 0 H LEU A 8 -11.090 -7.482 15.065 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.756 -8.943 13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.974 -8.697 12.645 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.552 -7.002 12.500 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.399 -7.691 11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.250 -9.980 10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.256 -9.967 12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.728 -10.420 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.451 -8.235 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.976 -8.605 10.081 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.331 -6.947 10.097 1.00 0.00 H new ATOM 85 N GLU A 9 -7.399 -6.797 13.471 1.00 0.00 N ATOM 86 CA GLU A 9 -6.486 -5.664 13.561 1.00 0.00 C ATOM 87 C GLU A 9 -6.098 -5.166 12.172 1.00 0.00 C ATOM 88 O GLU A 9 -6.093 -5.928 11.204 1.00 0.00 O ATOM 89 CB GLU A 9 -5.230 -6.054 14.344 1.00 0.00 C ATOM 90 CG GLU A 9 -4.309 -4.883 14.640 1.00 0.00 C ATOM 91 CD GLU A 9 -4.694 -4.145 15.908 1.00 0.00 C ATOM 92 OE1 GLU A 9 -5.871 -4.240 16.315 1.00 0.00 O ATOM 93 OE2 GLU A 9 -3.818 -3.474 16.494 1.00 0.00 O ATOM 0 H GLU A 9 -7.083 -7.546 12.855 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.998 -4.858 14.087 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.528 -6.518 15.284 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.678 -6.805 13.779 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.285 -5.245 14.731 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.328 -4.189 13.800 1.00 0.00 H new ATOM 100 N THR A 10 -5.774 -3.879 12.080 1.00 0.00 N ATOM 101 CA THR A 10 -5.387 -3.278 10.811 1.00 0.00 C ATOM 102 C THR A 10 -4.395 -4.161 10.063 1.00 0.00 C ATOM 103 O THR A 10 -4.513 -4.359 8.854 1.00 0.00 O ATOM 104 CB THR A 10 -4.763 -1.884 11.016 1.00 0.00 C ATOM 105 OG1 THR A 10 -3.635 -1.977 11.893 1.00 0.00 O ATOM 106 CG2 THR A 10 -5.783 -0.915 11.595 1.00 0.00 C ATOM 0 H THR A 10 -5.772 -3.234 12.870 1.00 0.00 H new ATOM 0 HA THR A 10 -6.297 -3.177 10.219 1.00 0.00 H new ATOM 0 HB THR A 10 -4.438 -1.509 10.045 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.243 -1.087 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.320 0.062 11.731 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.628 -0.824 10.912 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.133 -1.288 12.558 1.00 0.00 H new ATOM 114 N SER A 11 -3.416 -4.690 10.791 1.00 0.00 N ATOM 115 CA SER A 11 -2.400 -5.550 10.195 1.00 0.00 C ATOM 116 C SER A 11 -2.999 -6.890 9.779 1.00 0.00 C ATOM 117 O SER A 11 -2.791 -7.908 10.440 1.00 0.00 O ATOM 118 CB SER A 11 -1.252 -5.776 11.180 1.00 0.00 C ATOM 119 OG SER A 11 -1.734 -6.246 12.427 1.00 0.00 O ATOM 0 H SER A 11 -3.305 -4.538 11.794 1.00 0.00 H new ATOM 0 HA SER A 11 -2.014 -5.052 9.305 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.548 -6.497 10.764 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.705 -4.844 11.326 1.00 0.00 H new ATOM 0 HG SER A 11 -2.285 -7.044 12.285 1.00 0.00 H new ATOM 125 N SER A 12 -3.746 -6.882 8.679 1.00 0.00 N ATOM 126 CA SER A 12 -4.379 -8.095 8.176 1.00 0.00 C ATOM 127 C SER A 12 -3.627 -8.638 6.964 1.00 0.00 C ATOM 128 O SER A 12 -3.335 -7.903 6.021 1.00 0.00 O ATOM 129 CB SER A 12 -5.837 -7.818 7.804 1.00 0.00 C ATOM 130 OG SER A 12 -6.656 -7.763 8.958 1.00 0.00 O ATOM 0 H SER A 12 -3.927 -6.049 8.120 1.00 0.00 H new ATOM 0 HA SER A 12 -4.349 -8.845 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.904 -6.875 7.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.199 -8.598 7.134 1.00 0.00 H new ATOM 0 HG SER A 12 -6.308 -7.085 9.574 1.00 0.00 H new ATOM 136 N TYR A 13 -3.317 -9.929 6.999 1.00 0.00 N ATOM 137 CA TYR A 13 -2.597 -10.572 5.906 1.00 0.00 C ATOM 138 C TYR A 13 -3.436 -10.580 4.631 1.00 0.00 C ATOM 139 O TYR A 13 -4.527 -11.151 4.595 1.00 0.00 O ATOM 140 CB TYR A 13 -2.218 -12.003 6.289 1.00 0.00 C ATOM 141 CG TYR A 13 -1.722 -12.138 7.711 1.00 0.00 C ATOM 142 CD1 TYR A 13 -0.709 -11.319 8.195 1.00 0.00 C ATOM 143 CD2 TYR A 13 -2.265 -13.085 8.570 1.00 0.00 C ATOM 144 CE1 TYR A 13 -0.252 -11.439 9.493 1.00 0.00 C ATOM 145 CE2 TYR A 13 -1.816 -13.211 9.870 1.00 0.00 C ATOM 146 CZ TYR A 13 -0.809 -12.386 10.327 1.00 0.00 C ATOM 147 OH TYR A 13 -0.358 -12.510 11.621 1.00 0.00 O ATOM 0 H TYR A 13 -3.553 -10.551 7.772 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.688 -10.001 5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.086 -12.649 6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.445 -12.360 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.271 -10.576 7.545 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.052 -13.734 8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.537 -10.795 9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.251 -13.951 10.525 1.00 0.00 H new ATOM 0 HH TYR A 13 0.466 -11.991 11.731 1.00 0.00 H new ATOM 157 N LEU A 14 -2.919 -9.942 3.587 1.00 0.00 N ATOM 158 CA LEU A 14 -3.619 -9.875 2.308 1.00 0.00 C ATOM 159 C LEU A 14 -2.764 -10.460 1.188 1.00 0.00 C ATOM 160 O LEU A 14 -1.600 -10.801 1.396 1.00 0.00 O ATOM 161 CB LEU A 14 -3.987 -8.427 1.981 1.00 0.00 C ATOM 162 CG LEU A 14 -4.739 -7.663 3.072 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.636 -6.164 2.841 1.00 0.00 C ATOM 164 CD2 LEU A 14 -6.197 -8.098 3.119 1.00 0.00 C ATOM 0 H LEU A 14 -2.018 -9.464 3.600 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.531 -10.466 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.071 -7.883 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.596 -8.423 1.077 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.280 -7.894 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.177 -5.637 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.588 -5.864 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.069 -5.915 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.717 -7.544 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.668 -7.896 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.252 -9.165 3.333 1.00 0.00 H new ATOM 176 N ASN A 15 -3.349 -10.570 0.000 1.00 0.00 N ATOM 177 CA ASN A 15 -2.640 -11.111 -1.154 1.00 0.00 C ATOM 178 C ASN A 15 -1.929 -10.003 -1.924 1.00 0.00 C ATOM 179 O ASN A 15 -2.565 -9.198 -2.604 1.00 0.00 O ATOM 180 CB ASN A 15 -3.613 -11.847 -2.077 1.00 0.00 C ATOM 181 CG ASN A 15 -3.754 -13.314 -1.719 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.800 -13.948 -1.268 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.948 -13.859 -1.918 1.00 0.00 N ATOM 0 H ASN A 15 -4.312 -10.292 -0.189 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.891 -11.815 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.591 -11.368 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.269 -11.759 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.103 -14.842 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.710 -13.295 -2.294 1.00 0.00 H new ATOM 190 N VAL A 16 -0.604 -9.969 -1.814 1.00 0.00 N ATOM 191 CA VAL A 16 0.194 -8.961 -2.502 1.00 0.00 C ATOM 192 C VAL A 16 0.762 -9.507 -3.807 1.00 0.00 C ATOM 193 O VAL A 16 1.653 -10.357 -3.802 1.00 0.00 O ATOM 194 CB VAL A 16 1.354 -8.466 -1.618 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.195 -7.441 -2.364 1.00 0.00 C ATOM 196 CG2 VAL A 16 0.821 -7.884 -0.317 1.00 0.00 C ATOM 0 H VAL A 16 -0.061 -10.628 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.470 -8.125 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 16 1.991 -9.316 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.009 -7.103 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.607 -7.895 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.572 -6.590 -2.638 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.654 -7.539 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.161 -7.045 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.266 -8.650 0.224 1.00 0.00 H new ATOM 206 N LEU A 17 0.241 -9.012 -4.924 1.00 0.00 N ATOM 207 CA LEU A 17 0.696 -9.449 -6.240 1.00 0.00 C ATOM 208 C LEU A 17 2.191 -9.197 -6.410 1.00 0.00 C ATOM 209 O LEU A 17 2.661 -8.067 -6.272 1.00 0.00 O ATOM 210 CB LEU A 17 -0.083 -8.724 -7.338 1.00 0.00 C ATOM 211 CG LEU A 17 -0.131 -9.420 -8.698 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.110 -10.584 -8.668 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.509 -8.431 -9.791 1.00 0.00 C ATOM 0 H LEU A 17 -0.497 -8.308 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 17 0.515 -10.521 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.106 -8.575 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.355 -7.735 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 17 0.862 -9.812 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.131 -11.067 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.795 -11.305 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.106 -10.215 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.538 -8.944 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.490 -8.008 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.230 -7.631 -9.829 1.00 0.00 H new ATOM 225 N VAL A 18 2.934 -10.257 -6.714 1.00 0.00 N ATOM 226 CA VAL A 18 4.375 -10.150 -6.907 1.00 0.00 C ATOM 227 C VAL A 18 4.739 -10.229 -8.386 1.00 0.00 C ATOM 228 O VAL A 18 4.994 -9.212 -9.028 1.00 0.00 O ATOM 229 CB VAL A 18 5.127 -11.257 -6.144 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.608 -11.233 -6.491 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.920 -11.105 -4.645 1.00 0.00 C ATOM 0 H VAL A 18 2.561 -11.199 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 18 4.676 -9.179 -6.513 1.00 0.00 H new ATOM 0 HB VAL A 18 4.723 -12.223 -6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.123 -12.022 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.733 -11.394 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.030 -10.266 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.458 -11.895 -4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.296 -10.134 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.857 -11.176 -4.415 1.00 0.00 H new ATOM 241 N ASN A 19 4.761 -11.447 -8.919 1.00 0.00 N ATOM 242 CA ASN A 19 5.094 -11.660 -10.323 1.00 0.00 C ATOM 243 C ASN A 19 3.885 -12.179 -11.096 1.00 0.00 C ATOM 244 O ASN A 19 3.859 -13.332 -11.526 1.00 0.00 O ATOM 245 CB ASN A 19 6.256 -12.647 -10.449 1.00 0.00 C ATOM 246 CG ASN A 19 7.606 -11.972 -10.301 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.688 -10.789 -9.972 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.673 -12.725 -10.543 1.00 0.00 N ATOM 0 H ASN A 19 4.552 -12.300 -8.400 1.00 0.00 H new ATOM 0 HA ASN A 19 5.392 -10.702 -10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.155 -13.422 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.205 -13.143 -11.418 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.608 -12.327 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.557 -13.702 -10.813 1.00 0.00 H new ATOM 255 N SER A 20 2.886 -11.319 -11.269 1.00 0.00 N ATOM 256 CA SER A 20 1.673 -11.691 -11.987 1.00 0.00 C ATOM 257 C SER A 20 0.929 -12.804 -11.256 1.00 0.00 C ATOM 258 O SER A 20 0.177 -13.565 -11.864 1.00 0.00 O ATOM 259 CB SER A 20 2.014 -12.138 -13.410 1.00 0.00 C ATOM 260 OG SER A 20 0.853 -12.187 -14.221 1.00 0.00 O ATOM 0 H SER A 20 2.893 -10.360 -10.922 1.00 0.00 H new ATOM 0 HA SER A 20 1.025 -10.816 -12.035 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.738 -11.450 -13.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.484 -13.121 -13.383 1.00 0.00 H new ATOM 0 HG SER A 20 0.168 -12.732 -13.780 1.00 0.00 H new ATOM 266 N GLN A 21 1.145 -12.892 -9.948 1.00 0.00 N ATOM 267 CA GLN A 21 0.496 -13.912 -9.133 1.00 0.00 C ATOM 268 C GLN A 21 0.315 -13.430 -7.698 1.00 0.00 C ATOM 269 O GLN A 21 1.155 -12.704 -7.166 1.00 0.00 O ATOM 270 CB GLN A 21 1.314 -15.205 -9.150 1.00 0.00 C ATOM 271 CG GLN A 21 0.895 -16.176 -10.241 1.00 0.00 C ATOM 272 CD GLN A 21 1.293 -17.606 -9.934 1.00 0.00 C ATOM 273 OE1 GLN A 21 0.496 -18.386 -9.412 1.00 0.00 O ATOM 274 NE2 GLN A 21 2.532 -17.959 -10.257 1.00 0.00 N ATOM 0 H GLN A 21 1.765 -12.269 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.489 -14.107 -9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.367 -14.957 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.220 -15.697 -8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.186 -16.124 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.346 -15.872 -11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.160 -17.280 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.856 -18.909 -10.074 1.00 0.00 H new ATOM 283 N TRP A 22 -0.787 -13.836 -7.078 1.00 0.00 N ATOM 284 CA TRP A 22 -1.079 -13.444 -5.703 1.00 0.00 C ATOM 285 C TRP A 22 -0.334 -14.333 -4.714 1.00 0.00 C ATOM 286 O TRP A 22 -0.664 -15.508 -4.549 1.00 0.00 O ATOM 287 CB TRP A 22 -2.583 -13.515 -5.439 1.00 0.00 C ATOM 288 CG TRP A 22 -3.391 -12.659 -6.368 1.00 0.00 C ATOM 289 CD1 TRP A 22 -4.054 -13.067 -7.490 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.617 -11.250 -6.255 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.679 -11.996 -8.082 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.428 -10.870 -7.343 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.217 -10.272 -5.340 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.842 -9.555 -7.539 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.629 -8.968 -5.536 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.435 -8.619 -6.628 1.00 0.00 C ATOM 0 H TRP A 22 -1.493 -14.436 -7.505 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.742 -12.417 -5.565 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.912 -14.550 -5.531 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.779 -13.209 -4.411 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.083 -14.082 -7.858 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.239 -12.033 -8.934 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.597 -10.531 -4.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.462 -9.284 -8.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.325 -8.204 -4.836 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.741 -7.591 -6.753 1.00 0.00 H new ATOM 307 N LYS A 23 0.672 -13.766 -4.056 1.00 0.00 N ATOM 308 CA LYS A 23 1.463 -14.507 -3.081 1.00 0.00 C ATOM 309 C LYS A 23 1.284 -13.927 -1.682 1.00 0.00 C ATOM 310 O LYS A 23 1.499 -12.735 -1.462 1.00 0.00 O ATOM 311 CB LYS A 23 2.943 -14.483 -3.470 1.00 0.00 C ATOM 312 CG LYS A 23 3.239 -15.187 -4.783 1.00 0.00 C ATOM 313 CD LYS A 23 4.575 -14.752 -5.360 1.00 0.00 C ATOM 314 CE LYS A 23 4.550 -14.744 -6.881 1.00 0.00 C ATOM 315 NZ LYS A 23 4.969 -16.055 -7.449 1.00 0.00 N ATOM 0 H LYS A 23 0.959 -12.795 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 23 1.113 -15.539 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.275 -13.447 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.526 -14.951 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.244 -16.266 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.445 -14.973 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.823 -13.756 -4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.359 -15.424 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.545 -14.503 -7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.211 -13.960 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.939 -16.009 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.938 -16.273 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.324 -16.800 -7.117 1.00 0.00 H new ATOM 329 N SER A 24 0.892 -14.778 -0.739 1.00 0.00 N ATOM 330 CA SER A 24 0.682 -14.348 0.639 1.00 0.00 C ATOM 331 C SER A 24 1.798 -13.411 1.091 1.00 0.00 C ATOM 332 O SER A 24 2.981 -13.727 0.958 1.00 0.00 O ATOM 333 CB SER A 24 0.611 -15.562 1.568 1.00 0.00 C ATOM 334 OG SER A 24 -0.718 -16.039 1.684 1.00 0.00 O ATOM 0 H SER A 24 0.713 -15.769 -0.904 1.00 0.00 H new ATOM 0 HA SER A 24 -0.263 -13.808 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.253 -16.355 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.991 -15.292 2.553 1.00 0.00 H new ATOM 0 HG SER A 24 -0.736 -16.816 2.281 1.00 0.00 H new ATOM 340 N ARG A 25 1.412 -12.258 1.628 1.00 0.00 N ATOM 341 CA ARG A 25 2.379 -11.274 2.099 1.00 0.00 C ATOM 342 C ARG A 25 1.837 -10.515 3.307 1.00 0.00 C ATOM 343 O ARG A 25 0.627 -10.343 3.453 1.00 0.00 O ATOM 344 CB ARG A 25 2.725 -10.290 0.979 1.00 0.00 C ATOM 345 CG ARG A 25 3.606 -9.137 1.432 1.00 0.00 C ATOM 346 CD ARG A 25 5.061 -9.562 1.552 1.00 0.00 C ATOM 347 NE ARG A 25 5.585 -10.083 0.292 1.00 0.00 N ATOM 348 CZ ARG A 25 6.035 -9.312 -0.692 1.00 0.00 C ATOM 349 NH1 ARG A 25 6.025 -7.993 -0.562 1.00 0.00 N ATOM 350 NH2 ARG A 25 6.496 -9.861 -1.808 1.00 0.00 N ATOM 0 H ARG A 25 0.437 -11.983 1.748 1.00 0.00 H new ATOM 0 HA ARG A 25 3.283 -11.805 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.230 -10.828 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.802 -9.888 0.562 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.524 -8.314 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.254 -8.765 2.394 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.662 -8.710 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.153 -10.324 2.326 1.00 0.00 H new ATOM 0 HE ARG A 25 5.607 -11.094 0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.671 -7.568 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.371 -7.403 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.505 -10.876 -1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.841 -9.268 -2.563 1.00 0.00 H new ATOM 364 N TRP A 26 2.741 -10.065 4.170 1.00 0.00 N ATOM 365 CA TRP A 26 2.354 -9.326 5.366 1.00 0.00 C ATOM 366 C TRP A 26 2.328 -7.826 5.094 1.00 0.00 C ATOM 367 O TRP A 26 3.317 -7.251 4.638 1.00 0.00 O ATOM 368 CB TRP A 26 3.317 -9.632 6.514 1.00 0.00 C ATOM 369 CG TRP A 26 2.833 -9.136 7.843 1.00 0.00 C ATOM 370 CD1 TRP A 26 2.320 -7.902 8.120 1.00 0.00 C ATOM 371 CD2 TRP A 26 2.820 -9.865 9.076 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.988 -7.818 9.451 1.00 0.00 N ATOM 373 CE2 TRP A 26 2.284 -9.009 10.059 1.00 0.00 C ATOM 374 CE3 TRP A 26 3.206 -11.156 9.445 1.00 0.00 C ATOM 375 CZ2 TRP A 26 2.127 -9.406 11.385 1.00 0.00 C ATOM 376 CZ3 TRP A 26 3.050 -11.548 10.761 1.00 0.00 C ATOM 377 CH2 TRP A 26 2.514 -10.676 11.718 1.00 0.00 C ATOM 0 H TRP A 26 3.747 -10.199 4.064 1.00 0.00 H new ATOM 0 HA TRP A 26 1.350 -9.643 5.649 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.473 -10.709 6.571 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.285 -9.181 6.297 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.193 -7.108 7.399 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.586 -7.001 9.911 1.00 0.00 H new ATOM 0 HE3 TRP A 26 3.619 -11.836 8.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.714 -8.735 12.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.346 -12.544 11.057 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.404 -11.013 12.738 1.00 0.00 H new ATOM 388 N CYS A 27 1.192 -7.197 5.376 1.00 0.00 N ATOM 389 CA CYS A 27 1.038 -5.763 5.161 1.00 0.00 C ATOM 390 C CYS A 27 0.658 -5.056 6.458 1.00 0.00 C ATOM 391 O CYS A 27 -0.313 -5.427 7.117 1.00 0.00 O ATOM 392 CB CYS A 27 -0.023 -5.498 4.092 1.00 0.00 C ATOM 393 SG CYS A 27 0.560 -5.739 2.397 1.00 0.00 S ATOM 0 H CYS A 27 0.364 -7.658 5.754 1.00 0.00 H new ATOM 0 HA CYS A 27 1.994 -5.367 4.820 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.874 -6.156 4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.383 -4.475 4.199 1.00 0.00 H new ATOM 0 HG CYS A 27 1.814 -5.406 2.318 1.00 0.00 H new ATOM 399 N SER A 28 1.432 -4.038 6.819 1.00 0.00 N ATOM 400 CA SER A 28 1.180 -3.282 8.041 1.00 0.00 C ATOM 401 C SER A 28 1.163 -1.783 7.759 1.00 0.00 C ATOM 402 O SER A 28 2.066 -1.251 7.113 1.00 0.00 O ATOM 403 CB SER A 28 2.244 -3.603 9.093 1.00 0.00 C ATOM 404 OG SER A 28 1.753 -3.371 10.402 1.00 0.00 O ATOM 0 H SER A 28 2.239 -3.717 6.283 1.00 0.00 H new ATOM 0 HA SER A 28 0.202 -3.573 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.553 -4.644 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.128 -2.990 8.919 1.00 0.00 H new ATOM 0 HG SER A 28 2.506 -3.271 11.021 1.00 0.00 H new ATOM 410 N VAL A 29 0.128 -1.107 8.248 1.00 0.00 N ATOM 411 CA VAL A 29 -0.008 0.331 8.050 1.00 0.00 C ATOM 412 C VAL A 29 -0.006 1.072 9.383 1.00 0.00 C ATOM 413 O VAL A 29 -0.803 0.772 10.272 1.00 0.00 O ATOM 414 CB VAL A 29 -1.301 0.673 7.287 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.458 2.180 7.151 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.306 0.003 5.922 1.00 0.00 C ATOM 0 H VAL A 29 -0.628 -1.532 8.784 1.00 0.00 H new ATOM 0 HA VAL A 29 0.849 0.651 7.458 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.150 0.293 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.377 2.403 6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.502 2.632 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.607 2.587 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.227 0.255 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.451 0.351 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.244 -1.078 6.047 1.00 0.00 H new ATOM 426 N ARG A 30 0.893 2.041 9.514 1.00 0.00 N ATOM 427 CA ARG A 30 0.999 2.825 10.739 1.00 0.00 C ATOM 428 C ARG A 30 1.064 4.317 10.426 1.00 0.00 C ATOM 429 O ARG A 30 0.102 5.051 10.653 1.00 0.00 O ATOM 430 CB ARG A 30 2.237 2.405 11.533 1.00 0.00 C ATOM 431 CG ARG A 30 2.312 3.026 12.918 1.00 0.00 C ATOM 432 CD ARG A 30 1.319 2.382 13.872 1.00 0.00 C ATOM 433 NE ARG A 30 1.102 3.193 15.067 1.00 0.00 N ATOM 434 CZ ARG A 30 0.694 2.695 16.229 1.00 0.00 C ATOM 435 NH1 ARG A 30 0.459 1.396 16.352 1.00 0.00 N ATOM 436 NH2 ARG A 30 0.519 3.498 17.271 1.00 0.00 N ATOM 0 H ARG A 30 1.559 2.303 8.787 1.00 0.00 H new ATOM 0 HA ARG A 30 0.109 2.636 11.340 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.245 1.319 11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.129 2.681 10.971 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.322 2.916 13.313 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.112 4.095 12.850 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.369 2.231 13.359 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.683 1.397 14.164 1.00 0.00 H new ATOM 0 HE ARG A 30 1.273 4.197 15.006 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.591 0.776 15.553 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.146 1.017 17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.698 4.498 17.180 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.206 3.115 18.163 1.00 0.00 H new ATOM 450 N ASP A 31 2.204 4.757 9.905 1.00 0.00 N ATOM 451 CA ASP A 31 2.395 6.161 9.560 1.00 0.00 C ATOM 452 C ASP A 31 2.079 6.407 8.088 1.00 0.00 C ATOM 453 O ASP A 31 2.979 6.462 7.251 1.00 0.00 O ATOM 454 CB ASP A 31 3.830 6.593 9.866 1.00 0.00 C ATOM 455 CG ASP A 31 4.024 8.091 9.733 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.112 8.845 10.131 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.088 8.509 9.230 1.00 0.00 O ATOM 0 H ASP A 31 3.010 4.162 9.712 1.00 0.00 H new ATOM 0 HA ASP A 31 1.709 6.755 10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.091 6.284 10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.513 6.079 9.189 1.00 0.00 H new ATOM 462 N ASN A 32 0.795 6.554 7.779 1.00 0.00 N ATOM 463 CA ASN A 32 0.360 6.792 6.408 1.00 0.00 C ATOM 464 C ASN A 32 1.282 6.089 5.415 1.00 0.00 C ATOM 465 O ASN A 32 1.597 6.629 4.355 1.00 0.00 O ATOM 466 CB ASN A 32 0.327 8.293 6.115 1.00 0.00 C ATOM 467 CG ASN A 32 -0.697 9.025 6.961 1.00 0.00 C ATOM 468 OD1 ASN A 32 -1.973 8.760 6.706 1.00 0.00 O flip ATOM 469 ND2 ASN A 32 -0.344 9.818 7.834 1.00 0.00 N flip ATOM 0 H ASN A 32 0.037 6.512 8.460 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.645 6.384 6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.314 8.718 6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.102 8.450 5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.648 9.991 7.995 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.044 10.302 8.396 1.00 0.00 H new ATOM 476 N HIS A 33 1.710 4.881 5.767 1.00 0.00 N ATOM 477 CA HIS A 33 2.594 4.103 4.907 1.00 0.00 C ATOM 478 C HIS A 33 2.320 2.609 5.054 1.00 0.00 C ATOM 479 O HIS A 33 2.148 2.105 6.165 1.00 0.00 O ATOM 480 CB HIS A 33 4.056 4.400 5.242 1.00 0.00 C ATOM 481 CG HIS A 33 4.590 5.622 4.560 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.356 6.902 5.018 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.353 5.755 3.450 1.00 0.00 C ATOM 484 CE1 HIS A 33 4.950 7.769 4.217 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.562 7.098 3.258 1.00 0.00 N ATOM 0 H HIS A 33 1.459 4.420 6.642 1.00 0.00 H new ATOM 0 HA HIS A 33 2.399 4.390 3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.155 4.523 6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.666 3.541 4.962 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.810 7.142 5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.728 4.954 2.831 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.937 8.843 4.328 1.00 0.00 H new ATOM 494 N LEU A 34 2.279 1.906 3.928 1.00 0.00 N ATOM 495 CA LEU A 34 2.024 0.470 3.931 1.00 0.00 C ATOM 496 C LEU A 34 3.326 -0.314 3.800 1.00 0.00 C ATOM 497 O LEU A 34 3.919 -0.377 2.723 1.00 0.00 O ATOM 498 CB LEU A 34 1.075 0.098 2.791 1.00 0.00 C ATOM 499 CG LEU A 34 1.075 -1.372 2.370 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.920 -2.275 3.584 1.00 0.00 C ATOM 501 CD2 LEU A 34 -0.033 -1.638 1.361 1.00 0.00 C ATOM 0 H LEU A 34 2.419 2.307 3.001 1.00 0.00 H new ATOM 0 HA LEU A 34 1.559 0.211 4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.062 0.371 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.329 0.704 1.921 1.00 0.00 H new ATOM 0 HG LEU A 34 2.031 -1.594 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.922 -3.317 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.748 -2.105 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.021 -2.051 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.018 -2.689 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.998 -1.398 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.122 -1.017 0.478 1.00 0.00 H new ATOM 513 N HIS A 35 3.764 -0.912 4.903 1.00 0.00 N ATOM 514 CA HIS A 35 4.995 -1.695 4.911 1.00 0.00 C ATOM 515 C HIS A 35 4.721 -3.142 4.510 1.00 0.00 C ATOM 516 O HIS A 35 3.596 -3.627 4.627 1.00 0.00 O ATOM 517 CB HIS A 35 5.643 -1.652 6.295 1.00 0.00 C ATOM 518 CG HIS A 35 5.959 -0.266 6.766 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.177 0.343 6.550 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.206 0.633 7.443 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.161 1.555 7.076 1.00 0.00 C ATOM 522 NE2 HIS A 35 5.976 1.756 7.623 1.00 0.00 N ATOM 0 H HIS A 35 3.285 -0.870 5.803 1.00 0.00 H new ATOM 0 HA HIS A 35 5.679 -1.258 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.976 -2.128 7.014 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.562 -2.238 6.275 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.189 0.493 7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.978 2.261 7.061 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.681 2.607 8.101 1.00 0.00 H new ATOM 531 N PHE A 36 5.757 -3.825 4.035 1.00 0.00 N ATOM 532 CA PHE A 36 5.628 -5.215 3.615 1.00 0.00 C ATOM 533 C PHE A 36 6.638 -6.099 4.340 1.00 0.00 C ATOM 534 O PHE A 36 7.806 -5.736 4.484 1.00 0.00 O ATOM 535 CB PHE A 36 5.824 -5.333 2.102 1.00 0.00 C ATOM 536 CG PHE A 36 4.778 -4.607 1.304 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.722 -3.223 1.308 1.00 0.00 C ATOM 538 CD2 PHE A 36 3.852 -5.310 0.550 1.00 0.00 C ATOM 539 CE1 PHE A 36 3.761 -2.552 0.574 1.00 0.00 C ATOM 540 CE2 PHE A 36 2.890 -4.644 -0.186 1.00 0.00 C ATOM 541 CZ PHE A 36 2.843 -3.264 -0.173 1.00 0.00 C ATOM 0 H PHE A 36 6.695 -3.438 3.931 1.00 0.00 H new ATOM 0 HA PHE A 36 4.625 -5.554 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.807 -4.942 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.816 -6.387 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.437 -2.661 1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.882 -6.390 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.728 -1.473 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.175 -5.203 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.090 -2.743 -0.746 1.00 0.00 H new ATOM 551 N TYR A 37 6.181 -7.260 4.794 1.00 0.00 N ATOM 552 CA TYR A 37 7.043 -8.195 5.507 1.00 0.00 C ATOM 553 C TYR A 37 6.772 -9.631 5.067 1.00 0.00 C ATOM 554 O TYR A 37 5.804 -9.900 4.356 1.00 0.00 O ATOM 555 CB TYR A 37 6.833 -8.065 7.017 1.00 0.00 C ATOM 556 CG TYR A 37 6.835 -6.635 7.508 1.00 0.00 C ATOM 557 CD1 TYR A 37 8.026 -5.942 7.682 1.00 0.00 C ATOM 558 CD2 TYR A 37 5.646 -5.977 7.797 1.00 0.00 C ATOM 559 CE1 TYR A 37 8.033 -4.635 8.131 1.00 0.00 C ATOM 560 CE2 TYR A 37 5.643 -4.671 8.245 1.00 0.00 C ATOM 561 CZ TYR A 37 6.839 -4.004 8.410 1.00 0.00 C ATOM 562 OH TYR A 37 6.841 -2.702 8.857 1.00 0.00 O ATOM 0 H TYR A 37 5.218 -7.577 4.681 1.00 0.00 H new ATOM 0 HA TYR A 37 8.078 -7.950 5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.885 -8.531 7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.617 -8.619 7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.963 -6.433 7.463 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.708 -6.496 7.669 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.968 -4.111 8.263 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.709 -4.174 8.465 1.00 0.00 H new ATOM 0 HH TYR A 37 5.919 -2.406 9.006 1.00 0.00 H new ATOM 572 N GLN A 38 7.634 -10.547 5.495 1.00 0.00 N ATOM 573 CA GLN A 38 7.488 -11.955 5.146 1.00 0.00 C ATOM 574 C GLN A 38 7.276 -12.807 6.393 1.00 0.00 C ATOM 575 O GLN A 38 6.211 -13.396 6.580 1.00 0.00 O ATOM 576 CB GLN A 38 8.721 -12.443 4.384 1.00 0.00 C ATOM 577 CG GLN A 38 8.816 -11.900 2.967 1.00 0.00 C ATOM 578 CD GLN A 38 9.699 -12.750 2.074 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.730 -13.975 2.197 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.422 -12.103 1.168 1.00 0.00 N ATOM 0 H GLN A 38 8.441 -10.340 6.084 1.00 0.00 H new ATOM 0 HA GLN A 38 6.611 -12.056 4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.616 -12.155 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.707 -13.532 4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.817 -11.844 2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.208 -10.883 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.365 -11.087 1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.034 -12.622 0.539 1.00 0.00 H new ATOM 589 N ASP A 39 8.295 -12.867 7.242 1.00 0.00 N ATOM 590 CA ASP A 39 8.220 -13.647 8.472 1.00 0.00 C ATOM 591 C ASP A 39 9.323 -13.236 9.444 1.00 0.00 C ATOM 592 O ASP A 39 10.070 -12.292 9.187 1.00 0.00 O ATOM 593 CB ASP A 39 8.327 -15.141 8.162 1.00 0.00 C ATOM 594 CG ASP A 39 7.626 -15.515 6.871 1.00 0.00 C ATOM 595 OD1 ASP A 39 8.270 -15.439 5.804 1.00 0.00 O ATOM 596 OD2 ASP A 39 6.434 -15.883 6.928 1.00 0.00 O ATOM 0 H ASP A 39 9.183 -12.385 7.102 1.00 0.00 H new ATOM 0 HA ASP A 39 7.255 -13.450 8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.378 -15.421 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.896 -15.712 8.985 1.00 0.00 H new ATOM 601 N ARG A 40 9.417 -13.951 10.560 1.00 0.00 N ATOM 602 CA ARG A 40 10.426 -13.660 11.571 1.00 0.00 C ATOM 603 C ARG A 40 10.203 -12.279 12.180 1.00 0.00 C ATOM 604 O ARG A 40 11.103 -11.439 12.186 1.00 0.00 O ATOM 605 CB ARG A 40 11.827 -13.740 10.961 1.00 0.00 C ATOM 606 CG ARG A 40 12.398 -15.148 10.928 1.00 0.00 C ATOM 607 CD ARG A 40 11.965 -15.896 9.677 1.00 0.00 C ATOM 608 NE ARG A 40 12.076 -17.343 9.837 1.00 0.00 N ATOM 609 CZ ARG A 40 11.197 -18.077 10.510 1.00 0.00 C ATOM 610 NH1 ARG A 40 10.148 -17.503 11.081 1.00 0.00 N ATOM 611 NH2 ARG A 40 11.367 -19.389 10.612 1.00 0.00 N ATOM 0 H ARG A 40 8.807 -14.736 10.787 1.00 0.00 H new ATOM 0 HA ARG A 40 10.338 -14.405 12.362 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.795 -13.346 9.945 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.499 -13.098 11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.486 -15.101 10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.071 -15.695 11.812 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.934 -15.636 9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.578 -15.577 8.834 1.00 0.00 H new ATOM 0 HE ARG A 40 12.872 -17.816 9.409 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.014 -16.495 11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.475 -18.069 11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.173 -19.834 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.692 -19.952 11.129 1.00 0.00 H new ATOM 625 N ASN A 41 8.998 -12.051 12.691 1.00 0.00 N ATOM 626 CA ASN A 41 8.656 -10.771 13.301 1.00 0.00 C ATOM 627 C ASN A 41 9.099 -9.610 12.416 1.00 0.00 C ATOM 628 O ASN A 41 9.727 -8.662 12.887 1.00 0.00 O ATOM 629 CB ASN A 41 9.305 -10.651 14.682 1.00 0.00 C ATOM 630 CG ASN A 41 8.436 -11.231 15.781 1.00 0.00 C ATOM 631 OD1 ASN A 41 7.381 -11.807 15.516 1.00 0.00 O ATOM 632 ND2 ASN A 41 8.878 -11.081 17.025 1.00 0.00 N ATOM 0 H ASN A 41 8.242 -12.736 12.695 1.00 0.00 H new ATOM 0 HA ASN A 41 7.572 -10.727 13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.267 -11.164 14.674 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.505 -9.601 14.897 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.337 -11.451 17.807 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.759 -10.596 17.198 1.00 0.00 H new ATOM 639 N ARG A 42 8.768 -9.693 11.132 1.00 0.00 N ATOM 640 CA ARG A 42 9.132 -8.650 10.180 1.00 0.00 C ATOM 641 C ARG A 42 10.647 -8.476 10.117 1.00 0.00 C ATOM 642 O ARG A 42 11.163 -7.373 10.296 1.00 0.00 O ATOM 643 CB ARG A 42 8.472 -7.325 10.566 1.00 0.00 C ATOM 644 CG ARG A 42 6.957 -7.404 10.659 1.00 0.00 C ATOM 645 CD ARG A 42 6.361 -6.100 11.165 1.00 0.00 C ATOM 646 NE ARG A 42 4.986 -6.269 11.627 1.00 0.00 N ATOM 647 CZ ARG A 42 4.226 -5.268 12.057 1.00 0.00 C ATOM 648 NH1 ARG A 42 4.706 -4.032 12.084 1.00 0.00 N ATOM 649 NH2 ARG A 42 2.984 -5.501 12.461 1.00 0.00 N ATOM 0 H ARG A 42 8.248 -10.472 10.727 1.00 0.00 H new ATOM 0 HA ARG A 42 8.777 -8.952 9.195 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.870 -6.997 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.744 -6.566 9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.543 -7.638 9.678 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.674 -8.218 11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.973 -5.714 11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.387 -5.357 10.368 1.00 0.00 H new ATOM 0 HE ARG A 42 4.587 -7.208 11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.660 -3.849 11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.121 -3.265 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.611 -6.450 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.402 -4.731 12.791 1.00 0.00 H new ATOM 663 N SER A 43 11.353 -9.573 9.863 1.00 0.00 N ATOM 664 CA SER A 43 12.809 -9.543 9.781 1.00 0.00 C ATOM 665 C SER A 43 13.269 -9.440 8.330 1.00 0.00 C ATOM 666 O SER A 43 14.115 -8.612 7.992 1.00 0.00 O ATOM 667 CB SER A 43 13.403 -10.796 10.429 1.00 0.00 C ATOM 668 OG SER A 43 13.504 -10.644 11.834 1.00 0.00 O ATOM 0 H SER A 43 10.941 -10.493 9.710 1.00 0.00 H new ATOM 0 HA SER A 43 13.161 -8.663 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.779 -11.660 10.197 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.389 -10.993 10.010 1.00 0.00 H new ATOM 0 HG SER A 43 12.606 -10.583 12.222 1.00 0.00 H new ATOM 674 N LYS A 44 12.705 -10.287 7.476 1.00 0.00 N ATOM 675 CA LYS A 44 13.055 -10.293 6.060 1.00 0.00 C ATOM 676 C LYS A 44 12.098 -9.415 5.260 1.00 0.00 C ATOM 677 O LYS A 44 11.204 -9.915 4.577 1.00 0.00 O ATOM 678 CB LYS A 44 13.031 -11.722 5.513 1.00 0.00 C ATOM 679 CG LYS A 44 14.146 -12.599 6.055 1.00 0.00 C ATOM 680 CD LYS A 44 15.422 -12.444 5.244 1.00 0.00 C ATOM 681 CE LYS A 44 16.636 -12.936 6.016 1.00 0.00 C ATOM 682 NZ LYS A 44 17.889 -12.271 5.562 1.00 0.00 N ATOM 0 H LYS A 44 12.003 -10.979 7.740 1.00 0.00 H new ATOM 0 HA LYS A 44 14.062 -9.889 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.071 -12.178 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.103 -11.687 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.341 -12.339 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.829 -13.642 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.332 -13.002 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.560 -11.396 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.490 -12.749 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.732 -14.015 5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.693 -12.633 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.042 -12.471 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.808 -11.244 5.703 1.00 0.00 H new ATOM 696 N VAL A 45 12.292 -8.103 5.348 1.00 0.00 N ATOM 697 CA VAL A 45 11.448 -7.155 4.630 1.00 0.00 C ATOM 698 C VAL A 45 11.301 -7.551 3.165 1.00 0.00 C ATOM 699 O VAL A 45 12.269 -7.530 2.405 1.00 0.00 O ATOM 700 CB VAL A 45 12.015 -5.725 4.709 1.00 0.00 C ATOM 701 CG1 VAL A 45 11.145 -4.761 3.919 1.00 0.00 C ATOM 702 CG2 VAL A 45 12.137 -5.281 6.159 1.00 0.00 C ATOM 0 H VAL A 45 13.026 -7.672 5.910 1.00 0.00 H new ATOM 0 HA VAL A 45 10.470 -7.176 5.110 1.00 0.00 H new ATOM 0 HB VAL A 45 13.011 -5.722 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.561 -3.756 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.114 -5.071 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.135 -4.763 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.539 -4.269 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.154 -5.299 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.806 -5.957 6.692 1.00 0.00 H new ATOM 712 N ALA A 46 10.083 -7.911 2.774 1.00 0.00 N ATOM 713 CA ALA A 46 9.808 -8.309 1.399 1.00 0.00 C ATOM 714 C ALA A 46 10.237 -7.224 0.417 1.00 0.00 C ATOM 715 O ALA A 46 10.907 -7.505 -0.577 1.00 0.00 O ATOM 716 CB ALA A 46 8.329 -8.625 1.226 1.00 0.00 C ATOM 0 H ALA A 46 9.271 -7.935 3.390 1.00 0.00 H new ATOM 0 HA ALA A 46 10.388 -9.207 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.138 -8.921 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.050 -9.440 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.738 -7.741 1.465 1.00 0.00 H new ATOM 722 N GLN A 47 9.848 -5.986 0.703 1.00 0.00 N ATOM 723 CA GLN A 47 10.192 -4.860 -0.157 1.00 0.00 C ATOM 724 C GLN A 47 10.018 -3.538 0.582 1.00 0.00 C ATOM 725 O GLN A 47 9.431 -3.493 1.663 1.00 0.00 O ATOM 726 CB GLN A 47 9.326 -4.870 -1.418 1.00 0.00 C ATOM 727 CG GLN A 47 7.849 -4.635 -1.144 1.00 0.00 C ATOM 728 CD GLN A 47 7.089 -4.195 -2.380 1.00 0.00 C ATOM 729 OE1 GLN A 47 7.259 -3.075 -2.861 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.245 -5.078 -2.901 1.00 0.00 N ATOM 0 H GLN A 47 9.295 -5.737 1.523 1.00 0.00 H new ATOM 0 HA GLN A 47 11.239 -4.961 -0.443 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.687 -4.102 -2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.445 -5.829 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.405 -5.552 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.743 -3.877 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.136 -5.995 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.706 -4.839 -3.733 1.00 0.00 H new ATOM 739 N GLN A 48 10.533 -2.464 -0.007 1.00 0.00 N ATOM 740 CA GLN A 48 10.436 -1.140 0.597 1.00 0.00 C ATOM 741 C GLN A 48 8.990 -0.808 0.949 1.00 0.00 C ATOM 742 O GLN A 48 8.046 -1.396 0.421 1.00 0.00 O ATOM 743 CB GLN A 48 10.999 -0.080 -0.352 1.00 0.00 C ATOM 744 CG GLN A 48 12.503 0.104 -0.233 1.00 0.00 C ATOM 745 CD GLN A 48 13.142 0.537 -1.538 1.00 0.00 C ATOM 746 OE1 GLN A 48 12.560 1.306 -2.303 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.348 0.044 -1.799 1.00 0.00 N ATOM 0 H GLN A 48 11.022 -2.484 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 48 11.023 -1.143 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.755 -0.356 -1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.508 0.872 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.715 0.848 0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.955 -0.832 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.794 -0.591 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.828 0.300 -2.662 1.00 0.00 H new ATOM 756 N PRO A 49 8.810 0.158 1.862 1.00 0.00 N ATOM 757 CA PRO A 49 7.481 0.590 2.306 1.00 0.00 C ATOM 758 C PRO A 49 6.724 1.343 1.217 1.00 0.00 C ATOM 759 O PRO A 49 7.298 1.722 0.195 1.00 0.00 O ATOM 760 CB PRO A 49 7.784 1.518 3.485 1.00 0.00 C ATOM 761 CG PRO A 49 9.162 2.021 3.226 1.00 0.00 C ATOM 762 CD PRO A 49 9.889 0.902 2.533 1.00 0.00 C ATOM 0 HA PRO A 49 6.843 -0.255 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.067 2.337 3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.729 0.984 4.434 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.140 2.916 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.660 2.292 4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.621 1.280 1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.429 0.274 3.242 1.00 0.00 H new ATOM 770 N LEU A 50 5.432 1.558 1.442 1.00 0.00 N ATOM 771 CA LEU A 50 4.596 2.267 0.480 1.00 0.00 C ATOM 772 C LEU A 50 4.173 3.628 1.024 1.00 0.00 C ATOM 773 O LEU A 50 3.817 3.756 2.195 1.00 0.00 O ATOM 774 CB LEU A 50 3.358 1.435 0.140 1.00 0.00 C ATOM 775 CG LEU A 50 3.497 0.480 -1.046 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.224 -0.332 -1.230 1.00 0.00 C ATOM 777 CD2 LEU A 50 3.828 1.251 -2.316 1.00 0.00 C ATOM 0 H LEU A 50 4.941 1.251 2.282 1.00 0.00 H new ATOM 0 HA LEU A 50 5.182 2.424 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.083 0.853 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.531 2.116 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 50 4.316 -0.209 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.342 -1.006 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.030 -0.914 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.387 0.341 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.923 0.555 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.031 1.964 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.767 1.787 -2.182 1.00 0.00 H new ATOM 789 N SER A 51 4.215 4.642 0.166 1.00 0.00 N ATOM 790 CA SER A 51 3.838 5.994 0.561 1.00 0.00 C ATOM 791 C SER A 51 2.428 6.327 0.082 1.00 0.00 C ATOM 792 O SER A 51 2.248 7.020 -0.921 1.00 0.00 O ATOM 793 CB SER A 51 4.834 7.009 -0.004 1.00 0.00 C ATOM 794 OG SER A 51 4.828 6.995 -1.421 1.00 0.00 O ATOM 0 H SER A 51 4.506 4.553 -0.807 1.00 0.00 H new ATOM 0 HA SER A 51 3.855 6.046 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.583 8.007 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.836 6.782 0.361 1.00 0.00 H new ATOM 0 HG SER A 51 3.903 6.997 -1.744 1.00 0.00 H new ATOM 800 N LEU A 52 1.432 5.829 0.806 1.00 0.00 N ATOM 801 CA LEU A 52 0.036 6.073 0.456 1.00 0.00 C ATOM 802 C LEU A 52 -0.208 7.555 0.192 1.00 0.00 C ATOM 803 O LEU A 52 -0.895 7.921 -0.762 1.00 0.00 O ATOM 804 CB LEU A 52 -0.883 5.584 1.577 1.00 0.00 C ATOM 805 CG LEU A 52 -0.767 4.105 1.943 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.581 3.798 3.191 1.00 0.00 C ATOM 807 CD2 LEU A 52 -1.219 3.231 0.782 1.00 0.00 C ATOM 0 H LEU A 52 1.564 5.254 1.638 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.187 5.520 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.680 6.175 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.914 5.786 1.288 1.00 0.00 H new ATOM 0 HG LEU A 52 0.280 3.884 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.486 2.740 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.212 4.398 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.629 4.036 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.130 2.181 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.258 3.455 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.594 3.430 -0.088 1.00 0.00 H new ATOM 819 N VAL A 53 0.361 8.404 1.041 1.00 0.00 N ATOM 820 CA VAL A 53 0.208 9.847 0.898 1.00 0.00 C ATOM 821 C VAL A 53 0.406 10.279 -0.550 1.00 0.00 C ATOM 822 O VAL A 53 1.534 10.371 -1.033 1.00 0.00 O ATOM 823 CB VAL A 53 1.206 10.609 1.791 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.033 12.111 1.624 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.035 10.203 3.247 1.00 0.00 C ATOM 0 H VAL A 53 0.933 8.117 1.836 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.807 10.090 1.211 1.00 0.00 H new ATOM 0 HB VAL A 53 2.218 10.347 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.746 12.633 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.210 12.384 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.019 12.394 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.748 10.751 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.021 10.434 3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.214 9.133 3.350 1.00 0.00 H new ATOM 835 N GLY A 54 -0.700 10.544 -1.240 1.00 0.00 N ATOM 836 CA GLY A 54 -0.626 10.965 -2.627 1.00 0.00 C ATOM 837 C GLY A 54 -1.251 9.957 -3.572 1.00 0.00 C ATOM 838 O GLY A 54 -1.896 10.332 -4.551 1.00 0.00 O ATOM 0 H GLY A 54 -1.645 10.475 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.130 11.925 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.418 11.118 -2.902 1.00 0.00 H new ATOM 842 N CYS A 55 -1.058 8.676 -3.279 1.00 0.00 N ATOM 843 CA CYS A 55 -1.605 7.611 -4.112 1.00 0.00 C ATOM 844 C CYS A 55 -3.121 7.528 -3.962 1.00 0.00 C ATOM 845 O CYS A 55 -3.728 8.326 -3.249 1.00 0.00 O ATOM 846 CB CYS A 55 -0.970 6.269 -3.743 1.00 0.00 C ATOM 847 SG CYS A 55 0.825 6.334 -3.539 1.00 0.00 S ATOM 0 H CYS A 55 -0.527 8.350 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.373 7.841 -5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.418 5.910 -2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.211 5.540 -4.517 1.00 0.00 H new ATOM 0 HG CYS A 55 1.111 6.655 -2.312 1.00 0.00 H new ATOM 853 N GLU A 56 -3.726 6.559 -4.642 1.00 0.00 N ATOM 854 CA GLU A 56 -5.171 6.374 -4.586 1.00 0.00 C ATOM 855 C GLU A 56 -5.536 4.897 -4.699 1.00 0.00 C ATOM 856 O GLU A 56 -5.054 4.193 -5.586 1.00 0.00 O ATOM 857 CB GLU A 56 -5.852 7.166 -5.704 1.00 0.00 C ATOM 858 CG GLU A 56 -7.367 7.043 -5.701 1.00 0.00 C ATOM 859 CD GLU A 56 -8.021 7.916 -4.647 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.385 8.898 -4.212 1.00 0.00 O ATOM 861 OE2 GLU A 56 -9.169 7.615 -4.258 1.00 0.00 O ATOM 0 H GLU A 56 -3.238 5.890 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.522 6.744 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.581 8.218 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.470 6.823 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.752 7.316 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.643 6.003 -5.528 1.00 0.00 H new ATOM 868 N VAL A 57 -6.390 4.434 -3.792 1.00 0.00 N ATOM 869 CA VAL A 57 -6.821 3.041 -3.789 1.00 0.00 C ATOM 870 C VAL A 57 -8.143 2.872 -4.530 1.00 0.00 C ATOM 871 O VAL A 57 -9.158 3.458 -4.152 1.00 0.00 O ATOM 872 CB VAL A 57 -6.978 2.505 -2.354 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.284 1.015 -2.370 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.726 2.791 -1.538 1.00 0.00 C ATOM 0 H VAL A 57 -6.797 5.003 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.046 2.470 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.816 3.019 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.391 0.655 -1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.211 0.840 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.469 0.481 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.855 2.405 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.869 2.306 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.556 3.867 -1.497 1.00 0.00 H new ATOM 884 N VAL A 58 -8.124 2.067 -5.588 1.00 0.00 N ATOM 885 CA VAL A 58 -9.321 1.820 -6.382 1.00 0.00 C ATOM 886 C VAL A 58 -9.662 0.334 -6.414 1.00 0.00 C ATOM 887 O VAL A 58 -8.794 -0.523 -6.579 1.00 0.00 O ATOM 888 CB VAL A 58 -9.152 2.329 -7.826 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.467 3.814 -7.909 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.745 2.044 -8.329 1.00 0.00 C ATOM 0 H VAL A 58 -7.292 1.575 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.135 2.366 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.856 1.797 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.342 4.156 -8.937 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.496 3.986 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.789 4.367 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.643 2.410 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.021 2.548 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.562 0.970 -8.308 1.00 0.00 H new ATOM 900 N PRO A 59 -10.956 0.020 -6.254 1.00 0.00 N ATOM 901 CA PRO A 59 -11.442 -1.363 -6.262 1.00 0.00 C ATOM 902 C PRO A 59 -11.358 -1.998 -7.646 1.00 0.00 C ATOM 903 O PRO A 59 -12.288 -1.891 -8.446 1.00 0.00 O ATOM 904 CB PRO A 59 -12.902 -1.228 -5.823 1.00 0.00 C ATOM 905 CG PRO A 59 -13.287 0.159 -6.207 1.00 0.00 C ATOM 906 CD PRO A 59 -12.045 0.991 -6.052 1.00 0.00 C ATOM 0 HA PRO A 59 -10.847 -2.009 -5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.534 -1.965 -6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.009 -1.386 -4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.654 0.192 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.089 0.532 -5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.007 1.796 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.992 1.455 -5.067 1.00 0.00 H new ATOM 914 N ASP A 60 -10.240 -2.659 -7.921 1.00 0.00 N ATOM 915 CA ASP A 60 -10.035 -3.314 -9.208 1.00 0.00 C ATOM 916 C ASP A 60 -10.141 -4.829 -9.070 1.00 0.00 C ATOM 917 O ASP A 60 -9.141 -5.547 -9.057 1.00 0.00 O ATOM 918 CB ASP A 60 -8.671 -2.936 -9.786 1.00 0.00 C ATOM 919 CG ASP A 60 -8.659 -2.951 -11.302 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.124 -1.963 -11.908 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.185 -3.950 -11.881 1.00 0.00 O ATOM 0 H ASP A 60 -9.461 -2.756 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.816 -2.974 -9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.393 -1.943 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.917 -3.629 -9.413 1.00 0.00 H new ATOM 926 N PRO A 61 -11.381 -5.329 -8.963 1.00 0.00 N ATOM 927 CA PRO A 61 -11.647 -6.764 -8.823 1.00 0.00 C ATOM 928 C PRO A 61 -11.340 -7.538 -10.101 1.00 0.00 C ATOM 929 O PRO A 61 -10.920 -6.959 -11.103 1.00 0.00 O ATOM 930 CB PRO A 61 -13.145 -6.818 -8.512 1.00 0.00 C ATOM 931 CG PRO A 61 -13.700 -5.569 -9.104 1.00 0.00 C ATOM 932 CD PRO A 61 -12.619 -4.532 -8.971 1.00 0.00 C ATOM 0 HA PRO A 61 -11.022 -7.222 -8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.608 -7.703 -8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.325 -6.861 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.970 -5.719 -10.149 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.605 -5.258 -8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.636 -3.825 -9.800 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.729 -3.952 -8.055 1.00 0.00 H new ATOM 940 N SER A 62 -11.552 -8.849 -10.059 1.00 0.00 N ATOM 941 CA SER A 62 -11.295 -9.703 -11.213 1.00 0.00 C ATOM 942 C SER A 62 -12.357 -10.792 -11.331 1.00 0.00 C ATOM 943 O SER A 62 -13.145 -11.028 -10.414 1.00 0.00 O ATOM 944 CB SER A 62 -9.907 -10.338 -11.104 1.00 0.00 C ATOM 945 OG SER A 62 -8.962 -9.637 -11.895 1.00 0.00 O ATOM 0 H SER A 62 -11.901 -9.344 -9.238 1.00 0.00 H new ATOM 0 HA SER A 62 -11.335 -9.083 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.585 -10.339 -10.063 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.954 -11.379 -11.424 1.00 0.00 H new ATOM 0 HG SER A 62 -8.083 -10.061 -11.807 1.00 0.00 H new ATOM 951 N PRO A 63 -12.380 -11.471 -12.487 1.00 0.00 N ATOM 952 CA PRO A 63 -13.340 -12.547 -12.754 1.00 0.00 C ATOM 953 C PRO A 63 -13.065 -13.790 -11.915 1.00 0.00 C ATOM 954 O PRO A 63 -13.729 -14.815 -12.071 1.00 0.00 O ATOM 955 CB PRO A 63 -13.131 -12.848 -14.240 1.00 0.00 C ATOM 956 CG PRO A 63 -11.732 -12.420 -14.520 1.00 0.00 C ATOM 957 CD PRO A 63 -11.471 -11.242 -13.622 1.00 0.00 C ATOM 0 HA PRO A 63 -14.360 -12.255 -12.504 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.271 -13.908 -14.453 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.843 -12.302 -14.859 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.029 -13.228 -14.318 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.610 -12.146 -15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.430 -11.204 -13.302 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.685 -10.299 -14.124 1.00 0.00 H new ATOM 965 N ASP A 64 -12.083 -13.693 -11.025 1.00 0.00 N ATOM 966 CA ASP A 64 -11.721 -14.810 -10.161 1.00 0.00 C ATOM 967 C ASP A 64 -11.774 -14.399 -8.692 1.00 0.00 C ATOM 968 O ASP A 64 -11.777 -15.247 -7.799 1.00 0.00 O ATOM 969 CB ASP A 64 -10.323 -15.322 -10.510 1.00 0.00 C ATOM 970 CG ASP A 64 -9.232 -14.356 -10.094 1.00 0.00 C ATOM 971 OD1 ASP A 64 -8.832 -14.386 -8.911 1.00 0.00 O ATOM 972 OD2 ASP A 64 -8.777 -13.569 -10.950 1.00 0.00 O ATOM 0 H ASP A 64 -11.524 -12.852 -10.883 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.442 -15.611 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.159 -16.283 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.260 -15.495 -11.584 1.00 0.00 H new ATOM 977 N HIS A 65 -11.813 -13.093 -8.449 1.00 0.00 N ATOM 978 CA HIS A 65 -11.864 -12.570 -7.089 1.00 0.00 C ATOM 979 C HIS A 65 -12.326 -11.115 -7.083 1.00 0.00 C ATOM 980 O HIS A 65 -11.580 -10.215 -7.473 1.00 0.00 O ATOM 981 CB HIS A 65 -10.492 -12.684 -6.423 1.00 0.00 C ATOM 982 CG HIS A 65 -10.298 -13.964 -5.669 1.00 0.00 C ATOM 983 ND1 HIS A 65 -9.631 -15.094 -6.000 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -10.824 -14.185 -4.414 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -9.764 -15.968 -4.949 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -10.488 -15.395 -4.005 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.810 -12.378 -9.176 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.583 -13.164 -6.525 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.718 -12.600 -7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.358 -11.845 -5.740 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.124 -15.265 -6.868 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.418 -13.479 -3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.345 -16.962 -4.902 1.00 0.00 H new ATOM 995 N LEU A 66 -13.558 -10.892 -6.640 1.00 0.00 N ATOM 996 CA LEU A 66 -14.119 -9.547 -6.585 1.00 0.00 C ATOM 997 C LEU A 66 -13.670 -8.822 -5.320 1.00 0.00 C ATOM 998 O LEU A 66 -14.334 -7.894 -4.855 1.00 0.00 O ATOM 999 CB LEU A 66 -15.647 -9.608 -6.636 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.246 -10.608 -7.626 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.647 -11.011 -7.195 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.265 -10.022 -9.030 1.00 0.00 C ATOM 0 H LEU A 66 -14.188 -11.625 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.755 -8.992 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.015 -9.850 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.022 -8.615 -6.882 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.620 -11.501 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -18.057 -11.723 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.606 -11.472 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.284 -10.127 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.694 -10.747 -9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.867 -9.113 -9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.247 -9.785 -9.339 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.539 -9.248 -4.770 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.001 -8.640 -3.559 1.00 0.00 C ATOM 1016 C TYR A 67 -10.553 -8.206 -3.764 1.00 0.00 C ATOM 1017 O TYR A 67 -9.699 -8.427 -2.905 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.091 -9.619 -2.387 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.307 -10.516 -2.440 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.562 -10.002 -2.744 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.201 -11.878 -2.187 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.675 -10.818 -2.792 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.309 -12.702 -2.234 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.544 -12.167 -2.537 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.651 -12.983 -2.585 1.00 0.00 O ATOM 0 H TYR A 67 -11.976 -10.012 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.597 -7.756 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.194 -10.238 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.106 -9.056 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.669 -8.946 -2.946 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.236 -12.300 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.643 -10.402 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.209 -13.759 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.387 -13.905 -2.382 1.00 0.00 H new ATOM 1035 N SER A 68 -10.284 -7.587 -4.909 1.00 0.00 N ATOM 1036 CA SER A 68 -8.939 -7.125 -5.231 1.00 0.00 C ATOM 1037 C SER A 68 -8.920 -5.615 -5.444 1.00 0.00 C ATOM 1038 O SER A 68 -9.775 -5.064 -6.139 1.00 0.00 O ATOM 1039 CB SER A 68 -8.418 -7.835 -6.482 1.00 0.00 C ATOM 1040 OG SER A 68 -7.319 -7.139 -7.043 1.00 0.00 O ATOM 0 H SER A 68 -10.980 -7.394 -5.629 1.00 0.00 H new ATOM 0 HA SER A 68 -8.289 -7.364 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.117 -8.852 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 68 -9.217 -7.913 -7.219 1.00 0.00 H new ATOM 0 HG SER A 68 -6.523 -7.711 -7.020 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.939 -4.950 -4.842 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.808 -3.503 -4.965 1.00 0.00 C ATOM 1048 C PHE A 69 -6.362 -3.110 -5.251 1.00 0.00 C ATOM 1049 O PHE A 69 -5.427 -3.714 -4.724 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.292 -2.816 -3.686 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.681 -3.379 -2.435 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.264 -4.456 -1.787 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.523 -2.831 -1.907 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.703 -4.975 -0.636 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -5.958 -3.346 -0.755 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.549 -4.421 -0.120 1.00 0.00 C ATOM 0 H PHE A 69 -7.223 -5.390 -4.264 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.426 -3.177 -5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.063 -1.752 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.377 -2.905 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.167 -4.895 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.056 -1.992 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.168 -5.814 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.056 -2.909 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.109 -4.827 0.779 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.186 -2.094 -6.089 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.854 -1.621 -6.447 1.00 0.00 C ATOM 1068 C ARG A 70 -4.702 -0.136 -6.133 1.00 0.00 C ATOM 1069 O ARG A 70 -5.691 0.576 -5.957 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.584 -1.869 -7.932 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.690 -1.365 -8.845 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.227 -1.287 -10.291 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.951 -0.266 -11.044 1.00 0.00 N ATOM 1074 CZ ARG A 70 -6.089 -0.287 -12.365 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.554 -1.270 -13.076 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.762 0.679 -12.978 1.00 0.00 N ATOM 0 H ARG A 70 -6.949 -1.582 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.127 -2.176 -5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.648 -1.384 -8.208 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.450 -2.938 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.553 -2.028 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.017 -0.380 -8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.159 -1.069 -10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.366 -2.257 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.374 0.505 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.035 -2.013 -12.609 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.662 -1.283 -14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.173 1.438 -12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.868 0.662 -13.992 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.458 0.325 -6.063 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.177 1.725 -5.771 1.00 0.00 C ATOM 1092 C ILE A 71 -2.599 2.436 -6.989 1.00 0.00 C ATOM 1093 O ILE A 71 -1.883 1.835 -7.791 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.194 1.868 -4.593 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.476 0.800 -3.533 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.291 3.260 -3.989 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.502 0.826 -2.376 1.00 0.00 C ATOM 0 H ILE A 71 -2.628 -0.251 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.126 2.187 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.180 1.725 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.487 0.938 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.444 -0.183 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.591 3.346 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.047 4.004 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.305 3.430 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.762 0.043 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.491 0.658 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.550 1.796 -1.882 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.912 3.720 -7.122 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.422 4.515 -8.242 1.00 0.00 C ATOM 1111 C LEU A 72 -2.103 5.940 -7.801 1.00 0.00 C ATOM 1112 O LEU A 72 -2.807 6.516 -6.970 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.458 4.539 -9.368 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.206 3.229 -9.619 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.625 3.506 -10.089 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.462 2.377 -10.638 1.00 0.00 C ATOM 0 H LEU A 72 -3.503 4.233 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.505 4.053 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.190 5.315 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.956 4.830 -10.291 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.257 2.677 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.142 2.562 -10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.156 4.076 -9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.596 4.079 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.008 1.449 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.379 2.923 -11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.465 2.149 -10.262 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.038 6.504 -8.362 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.627 7.863 -8.028 1.00 0.00 C ATOM 1130 C HIS A 73 -1.033 8.839 -9.128 1.00 0.00 C ATOM 1131 O HIS A 73 -1.894 9.695 -8.926 1.00 0.00 O ATOM 1132 CB HIS A 73 0.885 7.921 -7.810 1.00 0.00 C ATOM 1133 CG HIS A 73 1.352 9.202 -7.189 1.00 0.00 C ATOM 1134 ND1 HIS A 73 0.906 10.442 -7.595 1.00 0.00 N ATOM 1135 CD2 HIS A 73 2.229 9.430 -6.183 1.00 0.00 C ATOM 1136 CE1 HIS A 73 1.490 11.377 -6.868 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.297 10.789 -6.003 1.00 0.00 N ATOM 0 H HIS A 73 -0.444 6.041 -9.050 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.131 8.153 -7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.184 7.088 -7.174 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.387 7.787 -8.768 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.774 8.682 -5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.334 12.441 -6.964 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.877 11.267 -5.313 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.406 8.705 -10.292 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.701 9.574 -11.425 1.00 0.00 C ATOM 1148 C LYS A 74 -1.184 8.762 -12.622 1.00 0.00 C ATOM 1149 O LYS A 74 -0.825 9.047 -13.764 1.00 0.00 O ATOM 1150 CB LYS A 74 0.539 10.383 -11.811 1.00 0.00 C ATOM 1151 CG LYS A 74 1.396 10.785 -10.623 1.00 0.00 C ATOM 1152 CD LYS A 74 1.019 12.162 -10.104 1.00 0.00 C ATOM 1153 CE LYS A 74 1.827 13.256 -10.785 1.00 0.00 C ATOM 1154 NZ LYS A 74 3.289 13.092 -10.554 1.00 0.00 N ATOM 0 H LYS A 74 0.310 8.002 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.495 10.259 -11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.144 9.797 -12.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.226 11.281 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.281 10.051 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.447 10.780 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.044 12.336 -10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.184 12.204 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.625 13.243 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.507 14.229 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.751 14.024 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.446 12.649 -9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.693 12.488 -11.299 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.003 7.749 -12.354 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.522 6.913 -13.420 1.00 0.00 C ATOM 1170 C GLY A 75 -1.776 5.599 -13.542 1.00 0.00 C ATOM 1171 O GLY A 75 -2.153 4.735 -14.333 1.00 0.00 O ATOM 0 H GLY A 75 -2.316 7.493 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.578 6.712 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.458 7.453 -14.365 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.714 5.448 -12.757 1.00 0.00 N ATOM 1176 CA GLU A 76 0.088 4.230 -12.784 1.00 0.00 C ATOM 1177 C GLU A 76 -0.270 3.318 -11.614 1.00 0.00 C ATOM 1178 O GLU A 76 -1.060 3.686 -10.746 1.00 0.00 O ATOM 1179 CB GLU A 76 1.579 4.574 -12.739 1.00 0.00 C ATOM 1180 CG GLU A 76 2.239 4.598 -14.107 1.00 0.00 C ATOM 1181 CD GLU A 76 3.583 5.300 -14.093 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.377 5.043 -13.164 1.00 0.00 O ATOM 1183 OE2 GLU A 76 3.842 6.106 -15.011 1.00 0.00 O ATOM 0 H GLU A 76 -0.389 6.153 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.128 3.703 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.704 5.549 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.092 3.847 -12.110 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.371 3.575 -14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.579 5.098 -14.816 1.00 0.00 H new ATOM 1190 N GLU A 77 0.316 2.124 -11.601 1.00 0.00 N ATOM 1191 CA GLU A 77 0.058 1.158 -10.540 1.00 0.00 C ATOM 1192 C GLU A 77 1.309 0.927 -9.698 1.00 0.00 C ATOM 1193 O GLU A 77 2.320 0.425 -10.192 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.423 -0.168 -11.133 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.616 -1.263 -10.098 1.00 0.00 C ATOM 1196 CD GLU A 77 -0.881 -2.618 -10.725 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.444 -2.836 -11.874 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -1.526 -3.460 -10.066 1.00 0.00 O ATOM 0 H GLU A 77 0.972 1.803 -12.313 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.722 1.564 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.366 -0.002 -11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.298 -0.506 -11.877 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.273 -1.325 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.449 -0.999 -9.446 1.00 0.00 H new ATOM 1205 N LEU A 78 1.234 1.298 -8.424 1.00 0.00 N ATOM 1206 CA LEU A 78 2.360 1.132 -7.512 1.00 0.00 C ATOM 1207 C LEU A 78 2.331 -0.244 -6.855 1.00 0.00 C ATOM 1208 O LEU A 78 3.329 -0.963 -6.851 1.00 0.00 O ATOM 1209 CB LEU A 78 2.338 2.223 -6.439 1.00 0.00 C ATOM 1210 CG LEU A 78 2.258 3.662 -6.948 1.00 0.00 C ATOM 1211 CD1 LEU A 78 2.281 4.641 -5.784 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.399 3.951 -7.913 1.00 0.00 C ATOM 0 H LEU A 78 0.406 1.715 -8.000 1.00 0.00 H new ATOM 0 HA LEU A 78 3.280 1.218 -8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.486 2.043 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.236 2.124 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 78 1.316 3.786 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.223 5.661 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.430 4.449 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.206 4.516 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.326 4.980 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.352 3.809 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.338 3.271 -8.763 1.00 0.00 H new ATOM 1224 N ALA A 79 1.178 -0.605 -6.301 1.00 0.00 N ATOM 1225 CA ALA A 79 1.017 -1.897 -5.645 1.00 0.00 C ATOM 1226 C ALA A 79 -0.338 -2.515 -5.975 1.00 0.00 C ATOM 1227 O ALA A 79 -1.215 -1.854 -6.530 1.00 0.00 O ATOM 1228 CB ALA A 79 1.178 -1.748 -4.139 1.00 0.00 C ATOM 0 H ALA A 79 0.342 -0.021 -6.293 1.00 0.00 H new ATOM 0 HA ALA A 79 1.793 -2.565 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.055 -2.720 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.171 -1.357 -3.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.423 -1.060 -3.759 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.501 -3.788 -5.631 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.749 -4.497 -5.890 1.00 0.00 C ATOM 1236 C LYS A 80 -2.016 -5.541 -4.811 1.00 0.00 C ATOM 1237 O LYS A 80 -1.292 -6.531 -4.698 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.702 -5.169 -7.264 1.00 0.00 C ATOM 1239 CG LYS A 80 -2.990 -5.882 -7.636 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.215 -5.880 -9.139 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.598 -6.402 -9.497 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.624 -5.324 -9.463 1.00 0.00 N ATOM 0 H LYS A 80 0.216 -4.350 -5.172 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.561 -3.769 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.482 -4.416 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.882 -5.886 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.956 -6.909 -7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.831 -5.397 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.096 -4.867 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.456 -6.496 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.572 -6.847 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.879 -7.193 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.552 -5.720 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.667 -4.916 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.370 -4.581 -10.145 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.059 -5.314 -4.020 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.422 -6.237 -2.950 1.00 0.00 C ATOM 1258 C LEU A 81 -4.760 -6.909 -3.241 1.00 0.00 C ATOM 1259 O LEU A 81 -5.532 -6.438 -4.076 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.490 -5.497 -1.613 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.305 -4.587 -1.288 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.001 -5.227 -1.740 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.486 -3.223 -1.939 1.00 0.00 C ATOM 0 H LEU A 81 -3.668 -4.499 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.654 -7.008 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.399 -4.895 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.585 -6.235 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.263 -4.449 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.169 -4.565 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.866 -6.179 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.032 -5.396 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.633 -2.588 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.554 -3.342 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.400 -2.760 -1.566 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.029 -8.009 -2.544 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.275 -8.743 -2.728 1.00 0.00 C ATOM 1277 C GLU A 82 -6.737 -9.368 -1.415 1.00 0.00 C ATOM 1278 O GLU A 82 -5.997 -10.118 -0.778 1.00 0.00 O ATOM 1279 CB GLU A 82 -6.100 -9.832 -3.789 1.00 0.00 C ATOM 1280 CG GLU A 82 -7.107 -10.963 -3.673 1.00 0.00 C ATOM 1281 CD GLU A 82 -7.216 -11.781 -4.945 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -7.553 -11.197 -5.997 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.965 -13.003 -4.890 1.00 0.00 O ATOM 0 H GLU A 82 -4.401 -8.411 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.036 -8.038 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.185 -9.381 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.094 -10.244 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.820 -11.616 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.085 -10.550 -3.427 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.964 -9.053 -1.016 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.526 -9.584 0.220 1.00 0.00 C ATOM 1292 C ALA A 83 -9.078 -10.991 0.013 1.00 0.00 C ATOM 1293 O ALA A 83 -8.926 -11.577 -1.060 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.615 -8.660 0.745 1.00 0.00 C ATOM 0 H ALA A 83 -8.589 -8.432 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.726 -9.641 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.025 -9.069 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.193 -7.674 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.408 -8.574 0.002 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.718 -11.528 1.046 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.293 -12.867 0.977 1.00 0.00 C ATOM 1302 C LYS A 84 -11.809 -12.800 0.830 1.00 0.00 C ATOM 1303 O LYS A 84 -12.447 -13.774 0.431 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.926 -13.666 2.230 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.424 -13.038 3.520 1.00 0.00 C ATOM 1306 CD LYS A 84 -11.789 -13.578 3.913 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.913 -13.735 5.420 1.00 0.00 C ATOM 1308 NZ LYS A 84 -12.345 -12.470 6.076 1.00 0.00 N ATOM 0 H LYS A 84 -9.852 -11.057 1.941 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.882 -13.368 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.338 -14.672 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.842 -13.769 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.710 -13.234 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.480 -11.956 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.566 -12.905 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.953 -14.542 3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.630 -14.524 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.954 -14.049 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.418 -12.619 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.648 -11.723 5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.272 -12.184 5.701 1.00 0.00 H new ATOM 1322 N SER A 85 -12.381 -11.644 1.153 1.00 0.00 N ATOM 1323 CA SER A 85 -13.823 -11.451 1.058 1.00 0.00 C ATOM 1324 C SER A 85 -14.158 -9.992 0.766 1.00 0.00 C ATOM 1325 O SER A 85 -13.322 -9.105 0.937 1.00 0.00 O ATOM 1326 CB SER A 85 -14.504 -11.893 2.355 1.00 0.00 C ATOM 1327 OG SER A 85 -14.582 -13.305 2.435 1.00 0.00 O ATOM 0 H SER A 85 -11.867 -10.827 1.483 1.00 0.00 H new ATOM 0 HA SER A 85 -14.193 -12.062 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.949 -11.507 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.506 -11.467 2.407 1.00 0.00 H new ATOM 0 HG SER A 85 -14.037 -13.703 1.724 1.00 0.00 H new ATOM 1333 N SER A 86 -15.388 -9.751 0.323 1.00 0.00 N ATOM 1334 CA SER A 86 -15.834 -8.400 0.002 1.00 0.00 C ATOM 1335 C SER A 86 -15.733 -7.491 1.223 1.00 0.00 C ATOM 1336 O SER A 86 -15.340 -6.330 1.113 1.00 0.00 O ATOM 1337 CB SER A 86 -17.275 -8.425 -0.512 1.00 0.00 C ATOM 1338 OG SER A 86 -17.312 -8.565 -1.921 1.00 0.00 O ATOM 0 H SER A 86 -16.093 -10.474 0.178 1.00 0.00 H new ATOM 0 HA SER A 86 -15.184 -8.004 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.816 -9.249 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.784 -7.506 -0.221 1.00 0.00 H new ATOM 0 HG SER A 86 -16.446 -8.896 -2.240 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.091 -8.028 2.385 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.041 -7.265 3.626 1.00 0.00 C ATOM 1346 C GLU A 87 -14.611 -6.842 3.948 1.00 0.00 C ATOM 1347 O GLU A 87 -14.359 -5.692 4.307 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.613 -8.090 4.781 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.132 -8.106 4.824 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.676 -9.089 5.842 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.082 -10.177 5.994 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.697 -8.770 6.488 1.00 0.00 O ATOM 0 H GLU A 87 -16.419 -8.988 2.493 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.646 -6.368 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.249 -9.114 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.235 -7.692 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.496 -7.106 5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.517 -8.361 3.837 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.679 -7.780 3.817 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.274 -7.505 4.095 1.00 0.00 C ATOM 1361 C GLU A 88 -11.775 -6.327 3.263 1.00 0.00 C ATOM 1362 O GLU A 88 -11.242 -5.357 3.800 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.422 -8.743 3.808 1.00 0.00 C ATOM 1364 CG GLU A 88 -9.927 -8.484 3.882 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.392 -8.559 5.299 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.647 -9.578 5.976 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.718 -7.601 5.731 1.00 0.00 O ATOM 0 H GLU A 88 -13.871 -8.737 3.520 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.183 -7.247 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.682 -9.526 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.668 -9.121 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.405 -9.212 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.712 -7.499 3.468 1.00 0.00 H new ATOM 1374 N MET A 89 -11.953 -6.421 1.950 1.00 0.00 N ATOM 1375 CA MET A 89 -11.522 -5.363 1.043 1.00 0.00 C ATOM 1376 C MET A 89 -12.182 -4.036 1.403 1.00 0.00 C ATOM 1377 O MET A 89 -11.569 -2.975 1.288 1.00 0.00 O ATOM 1378 CB MET A 89 -11.853 -5.735 -0.403 1.00 0.00 C ATOM 1379 CG MET A 89 -13.344 -5.776 -0.694 1.00 0.00 C ATOM 1380 SD MET A 89 -13.714 -5.627 -2.453 1.00 0.00 S ATOM 1381 CE MET A 89 -12.846 -4.113 -2.854 1.00 0.00 C ATOM 0 H MET A 89 -12.392 -7.218 1.490 1.00 0.00 H new ATOM 0 HA MET A 89 -10.442 -5.250 1.143 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.380 -5.016 -1.072 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.421 -6.710 -0.627 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.758 -6.712 -0.318 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.838 -4.969 -0.153 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.442 -3.526 -3.553 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.682 -3.536 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.885 -4.354 -3.309 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.436 -4.103 1.840 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.158 -2.900 2.210 1.00 0.00 C ATOM 1393 C GLY A 90 -13.515 -2.172 3.374 1.00 0.00 C ATOM 1394 O GLY A 90 -13.578 -0.945 3.459 1.00 0.00 O ATOM 0 H GLY A 90 -13.965 -4.969 1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.208 -2.231 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.184 -3.161 2.471 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.895 -2.929 4.273 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.238 -2.348 5.439 1.00 0.00 C ATOM 1400 C HIS A 91 -10.902 -1.721 5.053 1.00 0.00 C ATOM 1401 O HIS A 91 -10.472 -0.735 5.652 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.023 -3.414 6.514 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.911 -3.091 7.463 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.098 -2.377 8.628 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.592 -3.392 7.416 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -9.942 -2.250 9.255 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.012 -2.858 8.541 1.00 0.00 N ATOM 0 H HIS A 91 -12.833 -3.946 4.217 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.885 -1.566 5.838 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.947 -3.540 7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.812 -4.368 6.031 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.089 -3.948 6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.784 -1.736 10.192 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.024 -2.921 8.785 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.250 -2.299 4.051 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.962 -1.797 3.586 1.00 0.00 C ATOM 1418 C TRP A 92 -9.144 -0.573 2.694 1.00 0.00 C ATOM 1419 O TRP A 92 -8.500 0.457 2.897 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.210 -2.890 2.825 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.478 -3.842 3.722 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.926 -5.051 4.173 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.171 -3.663 4.278 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.975 -5.634 4.977 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.889 -4.803 5.056 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.211 -2.651 4.193 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.688 -4.956 5.744 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.019 -2.805 4.877 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.766 -3.950 5.643 1.00 0.00 C ATOM 0 H TRP A 92 -10.592 -3.116 3.545 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.378 -1.504 4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.918 -3.450 2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.498 -2.424 2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.886 -5.485 3.933 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.064 -6.539 5.440 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.397 -1.765 3.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.491 -5.837 6.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.270 -2.029 4.820 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.824 -4.041 6.164 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.025 -0.692 1.707 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.292 0.406 0.784 1.00 0.00 C ATOM 1442 C LEU A 93 -10.305 1.743 1.517 1.00 0.00 C ATOM 1443 O LEU A 93 -9.500 2.628 1.230 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.630 0.188 0.075 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.604 -0.750 -1.133 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.973 -0.810 -1.792 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.548 -0.302 -2.133 1.00 0.00 C ATOM 0 H LEU A 93 -10.566 -1.537 1.525 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.493 0.427 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.343 -0.205 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.008 1.157 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.346 -1.751 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.935 -1.482 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.706 -1.178 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.260 0.187 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.543 -0.981 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.775 0.708 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.568 -0.312 -1.656 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.224 1.882 2.468 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.322 3.114 3.230 1.00 0.00 C ATOM 1461 C GLY A 94 -10.068 3.402 4.031 1.00 0.00 C ATOM 1462 O GLY A 94 -9.683 4.560 4.201 1.00 0.00 O ATOM 0 H GLY A 94 -11.902 1.164 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.513 3.944 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.175 3.053 3.906 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.429 2.348 4.527 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.211 2.493 5.316 1.00 0.00 C ATOM 1468 C LEU A 95 -7.104 3.145 4.494 1.00 0.00 C ATOM 1469 O LEU A 95 -6.575 4.193 4.866 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.747 1.129 5.829 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.336 1.078 6.416 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.366 1.376 7.906 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.699 -0.280 6.155 1.00 0.00 C ATOM 0 H LEU A 95 -9.734 1.384 4.397 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.433 3.137 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.449 0.792 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.803 0.416 5.007 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.732 1.842 5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.353 1.335 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.781 2.371 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.986 0.636 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.695 -0.299 6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.303 -1.060 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.642 -0.455 5.081 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.759 2.519 3.375 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.715 3.038 2.498 1.00 0.00 C ATOM 1487 C LEU A 96 -6.092 4.415 1.960 1.00 0.00 C ATOM 1488 O LEU A 96 -5.257 5.318 1.896 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.470 2.074 1.336 1.00 0.00 C ATOM 1490 CG LEU A 96 -4.945 0.688 1.714 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.375 -0.345 0.684 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.429 0.711 1.848 1.00 0.00 C ATOM 0 H LEU A 96 -7.187 1.651 3.053 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.799 3.133 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.405 1.950 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.759 2.536 0.651 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.371 0.409 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.992 -1.325 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.463 -0.380 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.978 -0.071 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.072 -0.283 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.984 1.011 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.143 1.421 2.624 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.354 4.569 1.576 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.843 5.837 1.045 1.00 0.00 C ATOM 1506 C LEU A 97 -7.659 6.960 2.061 1.00 0.00 C ATOM 1507 O LEU A 97 -7.182 8.043 1.724 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.320 5.717 0.663 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.621 4.927 -0.611 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.067 4.455 -0.618 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.327 5.770 -1.844 1.00 0.00 C ATOM 0 H LEU A 97 -8.058 3.832 1.622 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.262 6.078 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.852 5.249 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.728 6.721 0.549 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.974 4.050 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.262 3.895 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.245 3.814 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.732 5.318 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.547 5.191 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.948 6.666 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.275 6.057 -1.846 1.00 0.00 H new ATOM 1523 N SER A 98 -8.039 6.692 3.307 1.00 0.00 N ATOM 1524 CA SER A 98 -7.917 7.680 4.372 1.00 0.00 C ATOM 1525 C SER A 98 -6.469 8.138 4.525 1.00 0.00 C ATOM 1526 O SER A 98 -6.200 9.321 4.730 1.00 0.00 O ATOM 1527 CB SER A 98 -8.423 7.101 5.694 1.00 0.00 C ATOM 1528 OG SER A 98 -8.576 8.117 6.670 1.00 0.00 O ATOM 0 H SER A 98 -8.434 5.799 3.603 1.00 0.00 H new ATOM 0 HA SER A 98 -8.527 8.543 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.378 6.600 5.534 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.724 6.347 6.056 1.00 0.00 H new ATOM 0 HG SER A 98 -8.902 7.722 7.505 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.542 7.191 4.425 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.122 7.496 4.553 1.00 0.00 C ATOM 1536 C GLU A 99 -3.617 8.261 3.333 1.00 0.00 C ATOM 1537 O GLU A 99 -2.970 9.300 3.462 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.315 6.209 4.732 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.685 5.427 5.982 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.496 6.233 7.252 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -4.223 7.232 7.435 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.620 5.865 8.063 1.00 0.00 O ATOM 0 H GLU A 99 -5.749 6.207 4.256 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.990 8.124 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.463 5.573 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.254 6.457 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.724 5.106 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.076 4.525 6.035 1.00 0.00 H new ATOM 1549 N SER A 100 -3.917 7.737 2.149 1.00 0.00 N ATOM 1550 CA SER A 100 -3.491 8.367 0.904 1.00 0.00 C ATOM 1551 C SER A 100 -4.255 9.665 0.663 1.00 0.00 C ATOM 1552 O SER A 100 -5.475 9.661 0.509 1.00 0.00 O ATOM 1553 CB SER A 100 -3.699 7.412 -0.273 1.00 0.00 C ATOM 1554 OG SER A 100 -5.079 7.198 -0.517 1.00 0.00 O ATOM 0 H SER A 100 -4.453 6.878 2.025 1.00 0.00 H new ATOM 0 HA SER A 100 -2.430 8.601 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.228 7.822 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.211 6.460 -0.064 1.00 0.00 H new ATOM 0 HG SER A 100 -5.598 7.934 -0.130 1.00 0.00 H new ATOM 1560 N GLY A 101 -3.525 10.777 0.630 1.00 0.00 N ATOM 1561 CA GLY A 101 -4.150 12.067 0.408 1.00 0.00 C ATOM 1562 C GLY A 101 -3.311 13.216 0.932 1.00 0.00 C ATOM 1563 O GLY A 101 -3.370 13.547 2.116 1.00 0.00 O ATOM 0 H GLY A 101 -2.513 10.806 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.323 12.205 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.126 12.083 0.893 1.00 0.00 H new ATOM 1567 N SER A 102 -2.526 13.824 0.048 1.00 0.00 N ATOM 1568 CA SER A 102 -1.666 14.939 0.430 1.00 0.00 C ATOM 1569 C SER A 102 -2.394 16.269 0.258 1.00 0.00 C ATOM 1570 O SER A 102 -3.285 16.398 -0.579 1.00 0.00 O ATOM 1571 CB SER A 102 -0.386 14.933 -0.408 1.00 0.00 C ATOM 1572 OG SER A 102 -0.662 15.241 -1.763 1.00 0.00 O ATOM 0 H SER A 102 -2.468 13.564 -0.937 1.00 0.00 H new ATOM 0 HA SER A 102 -1.404 14.821 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.320 15.658 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.090 13.954 -0.344 1.00 0.00 H new ATOM 0 HG SER A 102 0.172 15.232 -2.277 1.00 0.00 H new ATOM 1578 N GLY A 103 -2.005 17.256 1.059 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.629 18.564 0.981 1.00 0.00 C ATOM 1580 C GLY A 103 -2.508 19.184 -0.397 1.00 0.00 C ATOM 1581 O GLY A 103 -1.410 19.372 -0.922 1.00 0.00 O ATOM 0 H GLY A 103 -1.269 17.173 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.683 18.476 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.170 19.226 1.715 1.00 0.00 H new ATOM 1585 N PRO A 104 -3.657 19.510 -1.007 1.00 0.00 N ATOM 1586 CA PRO A 104 -3.701 20.115 -2.341 1.00 0.00 C ATOM 1587 C PRO A 104 -3.178 21.548 -2.345 1.00 0.00 C ATOM 1588 O PRO A 104 -3.807 22.449 -1.791 1.00 0.00 O ATOM 1589 CB PRO A 104 -5.190 20.088 -2.694 1.00 0.00 C ATOM 1590 CG PRO A 104 -5.891 20.081 -1.379 1.00 0.00 C ATOM 1591 CD PRO A 104 -5.002 19.313 -0.440 1.00 0.00 C ATOM 0 HA PRO A 104 -3.071 19.581 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.472 20.957 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.442 19.205 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.055 21.097 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -6.871 19.610 -1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.069 19.695 0.579 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.272 18.258 -0.403 1.00 0.00 H new ATOM 1599 N SER A 105 -2.025 21.750 -2.975 1.00 0.00 N ATOM 1600 CA SER A 105 -1.416 23.073 -3.048 1.00 0.00 C ATOM 1601 C SER A 105 -0.621 23.234 -4.340 1.00 0.00 C ATOM 1602 O SER A 105 0.170 22.366 -4.708 1.00 0.00 O ATOM 1603 CB SER A 105 -0.504 23.305 -1.842 1.00 0.00 C ATOM 1604 OG SER A 105 0.564 22.374 -1.823 1.00 0.00 O ATOM 0 H SER A 105 -1.494 21.015 -3.442 1.00 0.00 H new ATOM 0 HA SER A 105 -2.215 23.815 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.106 24.319 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.083 23.218 -0.922 1.00 0.00 H new ATOM 0 HG SER A 105 0.711 22.026 -2.727 1.00 0.00 H new ATOM 1610 N SER A 106 -0.838 24.352 -5.025 1.00 0.00 N ATOM 1611 CA SER A 106 -0.146 24.627 -6.279 1.00 0.00 C ATOM 1612 C SER A 106 0.557 25.980 -6.225 1.00 0.00 C ATOM 1613 O SER A 106 0.436 26.718 -5.248 1.00 0.00 O ATOM 1614 CB SER A 106 -1.132 24.598 -7.448 1.00 0.00 C ATOM 1615 OG SER A 106 -1.848 23.376 -7.480 1.00 0.00 O ATOM 0 H SER A 106 -1.488 25.082 -4.733 1.00 0.00 H new ATOM 0 HA SER A 106 0.605 23.852 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.830 25.430 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.593 24.732 -8.386 1.00 0.00 H new ATOM 0 HG SER A 106 -2.473 23.383 -8.235 1.00 0.00 H new ATOM 1621 N GLY A 107 1.294 26.300 -7.285 1.00 0.00 N ATOM 1622 CA GLY A 107 2.006 27.563 -7.340 1.00 0.00 C ATOM 1623 C GLY A 107 3.357 27.438 -8.017 1.00 0.00 C ATOM 1624 O GLY A 107 4.369 27.204 -7.357 1.00 0.00 O ATOM 0 H GLY A 107 1.410 25.707 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.401 28.295 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.144 27.943 -6.328 1.00 0.00 H new TER 1628 GLY A 107