USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1010 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 103 GLN : amide:sc= -4.47 K(o=-14,f=-23!) USER MOD Set 1.2: A 104 GLN : amide:sc= -9.18! C(o=-14!,f=-18!) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.467 K(o=1.6,f=-1.4!) USER MOD Set 2.2: A 99 SER OG : rot 73:sc= 1.18 USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.816 USER MOD Set 3.2: A 64 THR OG1 : rot -67:sc= 0.908 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= -0.112 USER MOD Set 4.2: A 29 SER OG : rot 48:sc= 0.0143 USER MOD Single : A 1 SER N :NH3+ -136:sc= 0.105 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 161:sc= -0.872 USER MOD Single : A 13 ASN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.447 K(o=0.45,f=-8.5!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= -0.739 (180deg=-1.38) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -141:sc= 0.249 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= 0.712 (180deg=0.0998) USER MOD Single : A 35 TYR OH : rot 150:sc= -1.55 USER MOD Single : A 37 SER OG : rot 20:sc= 1.01 USER MOD Single : A 39 GLN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= -0.542 (180deg=-0.635) USER MOD Single : A 43 GLN : amide:sc= -0.375 X(o=-0.38,f=-0.32) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 141:sc= -4.85! (180deg=-8.34!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.311 X(o=-0.31,f=-0.52) USER MOD Single : A 63 GLN : amide:sc= -0.0917 K(o=-0.092,f=-2.9!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.011) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.871 USER MOD Single : A 84 ASN : amide:sc= -5.55 X(o=-5.5,f=-5.6!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ -150:sc= 0.383 (180deg=0.0754) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 176:sc=-0.00912 (180deg=-0.0306) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.034 4.103 -16.384 1.00 0.00 N ATOM 2 CA SER A 1 7.869 4.194 -15.465 1.00 0.00 C ATOM 3 C SER A 1 8.319 4.414 -14.024 1.00 0.00 C ATOM 4 O SER A 1 9.504 4.612 -13.758 1.00 0.00 O ATOM 5 CB SER A 1 7.059 2.901 -15.575 1.00 0.00 C ATOM 6 OG SER A 1 6.610 2.690 -16.903 1.00 0.00 O ATOM 0 H1 SER A 1 8.846 4.663 -17.240 1.00 0.00 H new ATOM 0 H2 SER A 1 9.882 4.472 -15.908 1.00 0.00 H new ATOM 0 H3 SER A 1 9.191 3.109 -16.648 1.00 0.00 H new ATOM 0 HA SER A 1 7.254 5.048 -15.750 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.671 2.057 -15.257 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.203 2.946 -14.902 1.00 0.00 H new ATOM 0 HG SER A 1 6.097 1.856 -16.946 1.00 0.00 H new ATOM 14 N ARG A 2 7.365 4.377 -13.101 1.00 0.00 N ATOM 15 CA ARG A 2 7.661 4.571 -11.686 1.00 0.00 C ATOM 16 C ARG A 2 7.185 3.376 -10.863 1.00 0.00 C ATOM 17 O ARG A 2 6.682 2.395 -11.412 1.00 0.00 O ATOM 18 CB ARG A 2 7.005 5.858 -11.176 1.00 0.00 C ATOM 19 CG ARG A 2 5.581 6.059 -11.669 1.00 0.00 C ATOM 20 CD ARG A 2 5.547 6.791 -13.001 1.00 0.00 C ATOM 21 NE ARG A 2 5.991 8.178 -12.874 1.00 0.00 N ATOM 22 CZ ARG A 2 5.719 9.128 -13.768 1.00 0.00 C ATOM 23 NH1 ARG A 2 5.010 8.845 -14.854 1.00 0.00 N ATOM 24 NH2 ARG A 2 6.158 10.363 -13.574 1.00 0.00 N ATOM 0 H ARG A 2 6.379 4.214 -13.307 1.00 0.00 H new ATOM 0 HA ARG A 2 8.742 4.657 -11.573 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.004 5.847 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.610 6.710 -11.485 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.091 5.091 -11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.015 6.624 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.183 6.271 -13.717 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.533 6.770 -13.401 1.00 0.00 H new ATOM 0 HE ARG A 2 6.541 8.433 -12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.670 7.896 -15.008 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.805 9.577 -15.534 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.703 10.585 -12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.951 11.091 -14.257 1.00 0.00 H new ATOM 38 N LEU A 3 7.347 3.465 -9.544 1.00 0.00 N ATOM 39 CA LEU A 3 6.934 2.392 -8.644 1.00 0.00 C ATOM 40 C LEU A 3 5.512 1.933 -8.950 1.00 0.00 C ATOM 41 O LEU A 3 4.546 2.520 -8.466 1.00 0.00 O ATOM 42 CB LEU A 3 7.019 2.860 -7.192 1.00 0.00 C ATOM 43 CG LEU A 3 6.959 1.746 -6.145 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.120 0.779 -6.329 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.965 2.336 -4.741 1.00 0.00 C ATOM 0 H LEU A 3 7.762 4.270 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 3 7.609 1.550 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.949 3.412 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.204 3.558 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 3 6.030 1.192 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.062 -0.007 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.069 0.334 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.062 1.317 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.922 1.531 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.878 2.913 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.100 2.987 -4.616 1.00 0.00 H new ATOM 57 N GLU A 4 5.391 0.887 -9.756 1.00 0.00 N ATOM 58 CA GLU A 4 4.083 0.363 -10.122 1.00 0.00 C ATOM 59 C GLU A 4 4.070 -1.162 -10.091 1.00 0.00 C ATOM 60 O GLU A 4 5.117 -1.807 -10.136 1.00 0.00 O ATOM 61 CB GLU A 4 3.688 0.858 -11.515 1.00 0.00 C ATOM 62 CG GLU A 4 4.640 0.409 -12.612 1.00 0.00 C ATOM 63 CD GLU A 4 3.915 0.003 -13.880 1.00 0.00 C ATOM 64 OE1 GLU A 4 2.926 0.675 -14.241 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.338 -0.987 -14.513 1.00 0.00 O ATOM 0 H GLU A 4 6.179 0.387 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 4 3.360 0.725 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.685 0.501 -11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.645 1.947 -11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.336 1.217 -12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.234 -0.431 -12.252 1.00 0.00 H new ATOM 72 N GLY A 5 2.872 -1.725 -10.016 1.00 0.00 N ATOM 73 CA GLY A 5 2.718 -3.167 -9.979 1.00 0.00 C ATOM 74 C GLY A 5 1.430 -3.571 -9.297 1.00 0.00 C ATOM 75 O GLY A 5 0.470 -2.805 -9.277 1.00 0.00 O ATOM 0 H GLY A 5 1.996 -1.204 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.732 -3.561 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.564 -3.611 -9.453 1.00 0.00 H new ATOM 79 N TRP A 6 1.404 -4.770 -8.724 1.00 0.00 N ATOM 80 CA TRP A 6 0.214 -5.244 -8.034 1.00 0.00 C ATOM 81 C TRP A 6 0.511 -5.554 -6.576 1.00 0.00 C ATOM 82 O TRP A 6 1.410 -6.333 -6.266 1.00 0.00 O ATOM 83 CB TRP A 6 -0.359 -6.484 -8.717 1.00 0.00 C ATOM 84 CG TRP A 6 -0.574 -6.287 -10.177 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.378 -6.328 -11.137 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.812 -6.015 -10.839 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.178 -6.079 -12.364 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.526 -5.890 -12.210 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.131 -5.863 -10.408 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.513 -5.617 -13.155 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.110 -5.594 -11.345 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.798 -5.475 -12.706 1.00 0.00 C ATOM 0 H TRP A 6 2.186 -5.424 -8.724 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.525 -4.444 -8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.318 -7.324 -8.564 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.306 -6.748 -8.247 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.425 -6.528 -10.962 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.329 -6.041 -13.248 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.382 -5.954 -9.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.273 -5.521 -14.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.134 -5.473 -11.023 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.587 -5.267 -13.414 1.00 0.00 H new ATOM 103 N LEU A 7 -0.265 -4.954 -5.689 1.00 0.00 N ATOM 104 CA LEU A 7 -0.105 -5.179 -4.261 1.00 0.00 C ATOM 105 C LEU A 7 -1.392 -5.741 -3.692 1.00 0.00 C ATOM 106 O LEU A 7 -2.474 -5.471 -4.203 1.00 0.00 O ATOM 107 CB LEU A 7 0.283 -3.891 -3.548 1.00 0.00 C ATOM 108 CG LEU A 7 1.664 -3.348 -3.915 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.770 -1.881 -3.551 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.754 -4.152 -3.223 1.00 0.00 C ATOM 0 H LEU A 7 -1.014 -4.306 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 7 0.699 -5.898 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.463 -3.129 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.250 -4.063 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 7 1.799 -3.445 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.759 -1.510 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.012 -1.316 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.615 -1.760 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.730 -3.751 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.624 -4.087 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.690 -5.195 -3.534 1.00 0.00 H new ATOM 122 N SER A 8 -1.270 -6.545 -2.654 1.00 0.00 N ATOM 123 CA SER A 8 -2.436 -7.183 -2.057 1.00 0.00 C ATOM 124 C SER A 8 -3.051 -6.346 -0.948 1.00 0.00 C ATOM 125 O SER A 8 -2.353 -5.697 -0.172 1.00 0.00 O ATOM 126 CB SER A 8 -2.064 -8.568 -1.526 1.00 0.00 C ATOM 127 OG SER A 8 -2.534 -9.587 -2.389 1.00 0.00 O ATOM 0 H SER A 8 -0.383 -6.774 -2.206 1.00 0.00 H new ATOM 0 HA SER A 8 -3.187 -7.281 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.981 -8.643 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.488 -8.705 -0.531 1.00 0.00 H new ATOM 0 HG SER A 8 -2.043 -10.417 -2.213 1.00 0.00 H new ATOM 133 N LEU A 9 -4.376 -6.378 -0.892 1.00 0.00 N ATOM 134 CA LEU A 9 -5.130 -5.636 0.107 1.00 0.00 C ATOM 135 C LEU A 9 -6.090 -6.566 0.843 1.00 0.00 C ATOM 136 O LEU A 9 -6.523 -7.579 0.294 1.00 0.00 O ATOM 137 CB LEU A 9 -5.910 -4.503 -0.562 1.00 0.00 C ATOM 138 CG LEU A 9 -5.052 -3.486 -1.320 1.00 0.00 C ATOM 139 CD1 LEU A 9 -5.038 -3.800 -2.810 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.560 -2.071 -1.078 1.00 0.00 C ATOM 0 H LEU A 9 -4.955 -6.917 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.432 -5.210 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.629 -4.938 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.482 -3.976 0.201 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.031 -3.554 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.423 -3.066 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.626 -4.797 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.055 -3.763 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.938 -1.363 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.591 -1.990 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.516 -1.846 -0.012 1.00 0.00 H new ATOM 152 N PRO A 10 -6.437 -6.237 2.096 1.00 0.00 N ATOM 153 CA PRO A 10 -7.350 -7.056 2.896 1.00 0.00 C ATOM 154 C PRO A 10 -8.699 -7.250 2.214 1.00 0.00 C ATOM 155 O PRO A 10 -9.587 -6.403 2.312 1.00 0.00 O ATOM 156 CB PRO A 10 -7.515 -6.268 4.202 1.00 0.00 C ATOM 157 CG PRO A 10 -7.007 -4.895 3.907 1.00 0.00 C ATOM 158 CD PRO A 10 -5.972 -5.052 2.832 1.00 0.00 C ATOM 0 HA PRO A 10 -6.957 -8.061 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.559 -6.241 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.951 -6.729 5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.816 -4.244 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.576 -4.440 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.920 -4.173 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.976 -5.201 3.249 1.00 0.00 H new ATOM 166 N VAL A 11 -8.844 -8.375 1.522 1.00 0.00 N ATOM 167 CA VAL A 11 -10.082 -8.693 0.819 1.00 0.00 C ATOM 168 C VAL A 11 -11.115 -9.281 1.777 1.00 0.00 C ATOM 169 O VAL A 11 -10.827 -9.497 2.953 1.00 0.00 O ATOM 170 CB VAL A 11 -9.819 -9.678 -0.346 1.00 0.00 C ATOM 171 CG1 VAL A 11 -9.696 -11.112 0.155 1.00 0.00 C ATOM 172 CG2 VAL A 11 -10.906 -9.564 -1.403 1.00 0.00 C ATOM 0 H VAL A 11 -8.117 -9.084 1.433 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.477 -7.765 0.407 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.867 -9.406 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.512 -11.778 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.867 -11.181 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.621 -11.404 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.701 -10.265 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.873 -9.797 -0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.924 -8.548 -1.798 1.00 0.00 H new ATOM 182 N ARG A 12 -12.317 -9.541 1.270 1.00 0.00 N ATOM 183 CA ARG A 12 -13.381 -10.107 2.089 1.00 0.00 C ATOM 184 C ARG A 12 -14.068 -11.257 1.362 1.00 0.00 C ATOM 185 O ARG A 12 -15.085 -11.064 0.696 1.00 0.00 O ATOM 186 CB ARG A 12 -14.404 -9.029 2.451 1.00 0.00 C ATOM 187 CG ARG A 12 -13.902 -8.039 3.489 1.00 0.00 C ATOM 188 CD ARG A 12 -14.770 -6.790 3.532 1.00 0.00 C ATOM 189 NE ARG A 12 -16.097 -7.065 4.080 1.00 0.00 N ATOM 190 CZ ARG A 12 -17.151 -6.273 3.902 1.00 0.00 C ATOM 191 NH1 ARG A 12 -17.037 -5.154 3.196 1.00 0.00 N ATOM 192 NH2 ARG A 12 -18.321 -6.597 4.433 1.00 0.00 N ATOM 0 H ARG A 12 -12.577 -9.369 0.299 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.936 -10.494 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.682 -8.486 1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.308 -9.509 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.894 -8.512 4.471 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.873 -7.761 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.279 -6.028 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.870 -6.383 2.526 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.222 -7.914 4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.138 -4.898 2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.848 -4.550 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.414 -7.454 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.129 -5.989 4.296 1.00 0.00 H new ATOM 206 N ASN A 13 -13.504 -12.454 1.493 1.00 0.00 N ATOM 207 CA ASN A 13 -14.057 -13.640 0.848 1.00 0.00 C ATOM 208 C ASN A 13 -15.530 -13.824 1.205 1.00 0.00 C ATOM 209 O ASN A 13 -16.381 -13.941 0.324 1.00 0.00 O ATOM 210 CB ASN A 13 -13.265 -14.883 1.255 1.00 0.00 C ATOM 211 CG ASN A 13 -12.069 -15.128 0.354 1.00 0.00 C ATOM 212 OD1 ASN A 13 -11.945 -16.190 -0.257 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.182 -14.143 0.268 1.00 0.00 N ATOM 0 H ASN A 13 -12.662 -12.628 2.042 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.979 -13.502 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.924 -14.772 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.921 -15.753 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.357 -14.250 -0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.326 -13.280 0.792 1.00 0.00 H new ATOM 220 N ASN A 14 -15.822 -13.848 2.502 1.00 0.00 N ATOM 221 CA ASN A 14 -17.191 -14.017 2.973 1.00 0.00 C ATOM 222 C ASN A 14 -17.679 -12.764 3.695 1.00 0.00 C ATOM 223 O ASN A 14 -18.660 -12.143 3.284 1.00 0.00 O ATOM 224 CB ASN A 14 -17.294 -15.231 3.903 1.00 0.00 C ATOM 225 CG ASN A 14 -16.090 -15.375 4.816 1.00 0.00 C ATOM 226 OD1 ASN A 14 -16.016 -14.743 5.871 1.00 0.00 O ATOM 227 ND2 ASN A 14 -15.137 -16.207 4.411 1.00 0.00 N ATOM 0 H ASN A 14 -15.129 -13.753 3.244 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.826 -14.184 2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.196 -15.143 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -17.400 -16.135 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.302 -16.343 4.981 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -15.240 -16.710 3.530 1.00 0.00 H new ATOM 234 N THR A 15 -16.989 -12.395 4.770 1.00 0.00 N ATOM 235 CA THR A 15 -17.354 -11.215 5.547 1.00 0.00 C ATOM 236 C THR A 15 -16.456 -11.071 6.772 1.00 0.00 C ATOM 237 O THR A 15 -16.035 -9.967 7.119 1.00 0.00 O ATOM 238 CB THR A 15 -18.820 -11.290 5.981 1.00 0.00 C ATOM 239 OG1 THR A 15 -19.108 -10.296 6.949 1.00 0.00 O ATOM 240 CG2 THR A 15 -19.200 -12.629 6.574 1.00 0.00 C ATOM 0 H THR A 15 -16.174 -12.896 5.123 1.00 0.00 H new ATOM 0 HA THR A 15 -17.218 -10.340 4.912 1.00 0.00 H new ATOM 0 HB THR A 15 -19.399 -11.135 5.071 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.050 -10.359 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.252 -12.615 6.861 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.036 -13.414 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.587 -12.825 7.454 1.00 0.00 H new ATOM 248 N LYS A 16 -16.170 -12.192 7.424 1.00 0.00 N ATOM 249 CA LYS A 16 -15.324 -12.191 8.613 1.00 0.00 C ATOM 250 C LYS A 16 -13.875 -12.503 8.250 1.00 0.00 C ATOM 251 O LYS A 16 -12.945 -11.982 8.867 1.00 0.00 O ATOM 252 CB LYS A 16 -15.842 -13.207 9.634 1.00 0.00 C ATOM 253 CG LYS A 16 -16.401 -12.569 10.895 1.00 0.00 C ATOM 254 CD LYS A 16 -17.844 -12.980 11.142 1.00 0.00 C ATOM 255 CE LYS A 16 -18.802 -12.219 10.239 1.00 0.00 C ATOM 256 NZ LYS A 16 -20.066 -12.970 10.012 1.00 0.00 N ATOM 0 H LYS A 16 -16.511 -13.113 7.150 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.360 -11.195 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.619 -13.814 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.031 -13.882 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.789 -12.857 11.750 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -16.341 -11.484 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.953 -14.051 10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.102 -12.797 12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.030 -11.251 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -18.320 -12.023 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.692 -12.417 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.851 -13.883 9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.540 -13.135 10.923 1.00 0.00 H new ATOM 270 N LYS A 17 -13.689 -13.355 7.247 1.00 0.00 N ATOM 271 CA LYS A 17 -12.352 -13.735 6.806 1.00 0.00 C ATOM 272 C LYS A 17 -11.845 -12.781 5.728 1.00 0.00 C ATOM 273 O LYS A 17 -12.584 -12.413 4.815 1.00 0.00 O ATOM 274 CB LYS A 17 -12.355 -15.170 6.276 1.00 0.00 C ATOM 275 CG LYS A 17 -11.167 -15.994 6.742 1.00 0.00 C ATOM 276 CD LYS A 17 -9.913 -15.657 5.951 1.00 0.00 C ATOM 277 CE LYS A 17 -10.049 -16.052 4.488 1.00 0.00 C ATOM 278 NZ LYS A 17 -10.039 -14.866 3.590 1.00 0.00 N ATOM 0 H LYS A 17 -14.447 -13.795 6.725 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.682 -13.675 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.274 -15.663 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.364 -15.146 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.990 -15.813 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.393 -17.055 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.714 -14.588 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.057 -16.171 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.233 -16.721 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.977 -16.607 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.663 -15.041 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.377 -14.032 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.070 -14.694 3.253 1.00 0.00 H new ATOM 292 N PHE A 18 -10.582 -12.381 5.842 1.00 0.00 N ATOM 293 CA PHE A 18 -9.980 -11.468 4.879 1.00 0.00 C ATOM 294 C PHE A 18 -8.686 -12.044 4.314 1.00 0.00 C ATOM 295 O PHE A 18 -7.727 -12.283 5.047 1.00 0.00 O ATOM 296 CB PHE A 18 -9.702 -10.111 5.531 1.00 0.00 C ATOM 297 CG PHE A 18 -10.812 -9.628 6.422 1.00 0.00 C ATOM 298 CD1 PHE A 18 -11.853 -8.870 5.908 1.00 0.00 C ATOM 299 CD2 PHE A 18 -10.815 -9.933 7.774 1.00 0.00 C ATOM 300 CE1 PHE A 18 -12.873 -8.425 6.725 1.00 0.00 C ATOM 301 CE2 PHE A 18 -11.833 -9.491 8.596 1.00 0.00 C ATOM 302 CZ PHE A 18 -12.864 -8.735 8.071 1.00 0.00 C ATOM 0 H PHE A 18 -9.957 -12.675 6.592 1.00 0.00 H new ATOM 0 HA PHE A 18 -10.686 -11.333 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.784 -10.180 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.528 -9.371 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.866 -8.625 4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.012 -10.523 8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -13.678 -7.835 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.823 -9.736 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.661 -8.387 8.712 1.00 0.00 H new ATOM 312 N GLY A 19 -8.667 -12.256 3.004 1.00 0.00 N ATOM 313 CA GLY A 19 -7.486 -12.796 2.355 1.00 0.00 C ATOM 314 C GLY A 19 -6.627 -11.710 1.735 1.00 0.00 C ATOM 315 O GLY A 19 -6.364 -10.686 2.365 1.00 0.00 O ATOM 0 H GLY A 19 -9.449 -12.064 2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.896 -13.353 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.789 -13.503 1.583 1.00 0.00 H new ATOM 319 N TRP A 20 -6.194 -11.928 0.497 1.00 0.00 N ATOM 320 CA TRP A 20 -5.369 -10.950 -0.202 1.00 0.00 C ATOM 321 C TRP A 20 -5.702 -10.902 -1.687 1.00 0.00 C ATOM 322 O TRP A 20 -5.898 -11.935 -2.328 1.00 0.00 O ATOM 323 CB TRP A 20 -3.883 -11.270 -0.032 1.00 0.00 C ATOM 324 CG TRP A 20 -3.444 -11.365 1.397 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.004 -12.481 2.048 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.396 -10.297 2.350 1.00 0.00 C ATOM 327 NE1 TRP A 20 -2.684 -12.171 3.348 1.00 0.00 N ATOM 328 CE2 TRP A 20 -2.918 -10.838 3.558 1.00 0.00 C ATOM 329 CE3 TRP A 20 -3.712 -8.936 2.299 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -2.748 -10.065 4.705 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.543 -8.170 3.437 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.065 -8.736 4.626 1.00 0.00 C ATOM 0 H TRP A 20 -6.400 -12.770 -0.041 1.00 0.00 H new ATOM 0 HA TRP A 20 -5.583 -9.977 0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.665 -12.213 -0.533 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.296 -10.500 -0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -2.920 -13.463 1.607 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.330 -12.827 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.081 -8.491 1.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.380 -10.499 5.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.783 -7.117 3.409 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.944 -8.111 5.498 1.00 0.00 H new ATOM 343 N VAL A 21 -5.747 -9.692 -2.225 1.00 0.00 N ATOM 344 CA VAL A 21 -6.033 -9.487 -3.639 1.00 0.00 C ATOM 345 C VAL A 21 -5.134 -8.395 -4.191 1.00 0.00 C ATOM 346 O VAL A 21 -5.228 -7.242 -3.769 1.00 0.00 O ATOM 347 CB VAL A 21 -7.502 -9.080 -3.866 1.00 0.00 C ATOM 348 CG1 VAL A 21 -7.851 -7.859 -3.030 1.00 0.00 C ATOM 349 CG2 VAL A 21 -7.761 -8.812 -5.343 1.00 0.00 C ATOM 0 H VAL A 21 -5.588 -8.832 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.849 -10.430 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.141 -9.905 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.892 -7.585 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.706 -8.087 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.206 -7.028 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.803 -8.526 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.114 -8.004 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.551 -9.714 -5.919 1.00 0.00 H new ATOM 359 N LYS A 22 -4.250 -8.742 -5.124 1.00 0.00 N ATOM 360 CA LYS A 22 -3.359 -7.743 -5.675 1.00 0.00 C ATOM 361 C LYS A 22 -4.099 -6.803 -6.619 1.00 0.00 C ATOM 362 O LYS A 22 -4.884 -7.230 -7.466 1.00 0.00 O ATOM 363 CB LYS A 22 -2.135 -8.377 -6.360 1.00 0.00 C ATOM 364 CG LYS A 22 -2.440 -9.340 -7.500 1.00 0.00 C ATOM 365 CD LYS A 22 -3.115 -8.657 -8.673 1.00 0.00 C ATOM 366 CE LYS A 22 -2.509 -9.099 -9.990 1.00 0.00 C ATOM 367 NZ LYS A 22 -2.940 -10.474 -10.368 1.00 0.00 N ATOM 0 H LYS A 22 -4.138 -9.683 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.985 -7.150 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.502 -7.577 -6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.554 -8.908 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.513 -9.803 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.081 -10.141 -7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.181 -8.886 -8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.020 -7.576 -8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.798 -8.400 -10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.422 -9.067 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.503 -10.738 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.643 -11.146 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.975 -10.500 -10.462 1.00 0.00 H new ATOM 381 N LYS A 23 -3.835 -5.516 -6.459 1.00 0.00 N ATOM 382 CA LYS A 23 -4.444 -4.489 -7.284 1.00 0.00 C ATOM 383 C LYS A 23 -3.345 -3.650 -7.911 1.00 0.00 C ATOM 384 O LYS A 23 -2.300 -3.431 -7.299 1.00 0.00 O ATOM 385 CB LYS A 23 -5.378 -3.607 -6.457 1.00 0.00 C ATOM 386 CG LYS A 23 -6.463 -4.383 -5.729 1.00 0.00 C ATOM 387 CD LYS A 23 -7.694 -4.564 -6.599 1.00 0.00 C ATOM 388 CE LYS A 23 -8.963 -4.639 -5.764 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.627 -3.312 -5.643 1.00 0.00 N ATOM 0 H LYS A 23 -3.193 -5.156 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.040 -4.962 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.788 -3.052 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.846 -2.873 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.078 -5.359 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.736 -3.858 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.769 -3.734 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.592 -5.474 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.654 -5.351 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.722 -5.016 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.488 -3.406 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.977 -2.639 -5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.880 -2.963 -6.589 1.00 0.00 H new ATOM 403 N TYR A 24 -3.566 -3.198 -9.132 1.00 0.00 N ATOM 404 CA TYR A 24 -2.564 -2.407 -9.826 1.00 0.00 C ATOM 405 C TYR A 24 -2.339 -1.065 -9.142 1.00 0.00 C ATOM 406 O TYR A 24 -3.129 -0.134 -9.292 1.00 0.00 O ATOM 407 CB TYR A 24 -2.948 -2.193 -11.287 1.00 0.00 C ATOM 408 CG TYR A 24 -1.752 -2.109 -12.211 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.678 -2.982 -12.074 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.693 -1.150 -13.213 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.417 -2.902 -12.912 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.600 -1.064 -14.055 1.00 0.00 C ATOM 413 CZ TYR A 24 0.451 -1.942 -13.901 1.00 0.00 C ATOM 414 OH TYR A 24 1.541 -1.858 -14.737 1.00 0.00 O ATOM 0 H TYR A 24 -4.423 -3.363 -9.661 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.630 -2.968 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.592 -3.011 -11.610 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.530 -1.276 -11.372 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.701 -3.735 -11.300 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.514 -0.460 -13.337 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.243 -3.588 -12.793 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.570 -0.312 -14.830 1.00 0.00 H new ATOM 0 HH TYR A 24 1.749 -0.916 -14.909 1.00 0.00 H new ATOM 424 N VAL A 25 -1.239 -0.974 -8.403 1.00 0.00 N ATOM 425 CA VAL A 25 -0.882 0.253 -7.705 1.00 0.00 C ATOM 426 C VAL A 25 0.275 0.941 -8.412 1.00 0.00 C ATOM 427 O VAL A 25 1.312 0.328 -8.665 1.00 0.00 O ATOM 428 CB VAL A 25 -0.476 -0.013 -6.241 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.453 1.288 -5.451 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.413 -1.019 -5.593 1.00 0.00 C ATOM 0 H VAL A 25 -0.577 -1.739 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.766 0.891 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 25 0.528 -0.437 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.165 1.083 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.266 1.973 -5.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.444 1.741 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.106 -1.190 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.431 -0.631 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.375 -1.959 -6.143 1.00 0.00 H new ATOM 440 N ILE A 26 0.098 2.214 -8.730 1.00 0.00 N ATOM 441 CA ILE A 26 1.136 2.977 -9.407 1.00 0.00 C ATOM 442 C ILE A 26 1.391 4.294 -8.690 1.00 0.00 C ATOM 443 O ILE A 26 0.522 5.164 -8.639 1.00 0.00 O ATOM 444 CB ILE A 26 0.762 3.257 -10.876 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.177 2.002 -11.526 1.00 0.00 C ATOM 446 CG2 ILE A 26 1.979 3.744 -11.653 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.154 2.177 -12.993 1.00 0.00 C ATOM 0 H ILE A 26 -0.753 2.740 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 26 2.044 2.374 -9.388 1.00 0.00 H new ATOM 0 HB ILE A 26 0.005 4.041 -10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.887 1.182 -11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.727 1.713 -10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.697 3.937 -12.688 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.355 4.663 -11.202 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.757 2.981 -11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.564 1.247 -13.387 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.888 2.975 -13.108 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.752 2.435 -13.542 1.00 0.00 H new ATOM 459 N VAL A 27 2.591 4.436 -8.137 1.00 0.00 N ATOM 460 CA VAL A 27 2.958 5.649 -7.423 1.00 0.00 C ATOM 461 C VAL A 27 3.599 6.658 -8.367 1.00 0.00 C ATOM 462 O VAL A 27 4.757 6.507 -8.759 1.00 0.00 O ATOM 463 CB VAL A 27 3.937 5.349 -6.272 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.128 6.579 -5.399 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.446 4.171 -5.444 1.00 0.00 C ATOM 0 H VAL A 27 3.323 3.727 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 27 2.041 6.067 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 27 4.902 5.083 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.823 6.348 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.530 7.394 -6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.168 6.879 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.151 3.975 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.468 4.405 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.367 3.288 -6.078 1.00 0.00 H new ATOM 475 N SER A 28 2.841 7.685 -8.735 1.00 0.00 N ATOM 476 CA SER A 28 3.338 8.715 -9.636 1.00 0.00 C ATOM 477 C SER A 28 4.151 9.759 -8.879 1.00 0.00 C ATOM 478 O SER A 28 4.066 9.861 -7.656 1.00 0.00 O ATOM 479 CB SER A 28 2.173 9.389 -10.364 1.00 0.00 C ATOM 480 OG SER A 28 2.634 10.420 -11.221 1.00 0.00 O ATOM 0 H SER A 28 1.880 7.825 -8.423 1.00 0.00 H new ATOM 0 HA SER A 28 3.989 8.237 -10.368 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.625 8.647 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.475 9.802 -9.636 1.00 0.00 H new ATOM 0 HG SER A 28 1.871 10.833 -11.675 1.00 0.00 H new ATOM 486 N SER A 29 4.941 10.532 -9.617 1.00 0.00 N ATOM 487 CA SER A 29 5.772 11.571 -9.017 1.00 0.00 C ATOM 488 C SER A 29 4.935 12.514 -8.157 1.00 0.00 C ATOM 489 O SER A 29 4.156 13.315 -8.674 1.00 0.00 O ATOM 490 CB SER A 29 6.497 12.365 -10.105 1.00 0.00 C ATOM 491 OG SER A 29 5.657 12.584 -11.224 1.00 0.00 O ATOM 0 H SER A 29 5.024 10.459 -10.631 1.00 0.00 H new ATOM 0 HA SER A 29 6.509 11.085 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.827 13.322 -9.702 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.391 11.826 -10.418 1.00 0.00 H new ATOM 0 HG SER A 29 4.787 12.918 -10.920 1.00 0.00 H new ATOM 497 N LYS A 30 5.103 12.412 -6.841 1.00 0.00 N ATOM 498 CA LYS A 30 4.366 13.254 -5.903 1.00 0.00 C ATOM 499 C LYS A 30 2.874 12.931 -5.929 1.00 0.00 C ATOM 500 O LYS A 30 2.039 13.793 -5.655 1.00 0.00 O ATOM 501 CB LYS A 30 4.582 14.734 -6.229 1.00 0.00 C ATOM 502 CG LYS A 30 6.048 15.119 -6.365 1.00 0.00 C ATOM 503 CD LYS A 30 6.470 16.120 -5.299 1.00 0.00 C ATOM 504 CE LYS A 30 7.167 17.326 -5.911 1.00 0.00 C ATOM 505 NZ LYS A 30 7.536 18.335 -4.880 1.00 0.00 N ATOM 0 H LYS A 30 5.744 11.753 -6.399 1.00 0.00 H new ATOM 0 HA LYS A 30 4.746 13.049 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.064 14.972 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.127 15.340 -5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.667 14.225 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.222 15.545 -7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.594 16.449 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.138 15.635 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.064 16.999 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.513 17.786 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.008 19.141 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.677 18.666 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.180 17.903 -4.187 1.00 0.00 H new ATOM 519 N LYS A 31 2.543 11.685 -6.258 1.00 0.00 N ATOM 520 CA LYS A 31 1.152 11.254 -6.316 1.00 0.00 C ATOM 521 C LYS A 31 1.047 9.733 -6.274 1.00 0.00 C ATOM 522 O LYS A 31 1.950 9.026 -6.721 1.00 0.00 O ATOM 523 CB LYS A 31 0.484 11.790 -7.585 1.00 0.00 C ATOM 524 CG LYS A 31 -1.022 11.587 -7.611 1.00 0.00 C ATOM 525 CD LYS A 31 -1.741 12.641 -6.784 1.00 0.00 C ATOM 526 CE LYS A 31 -2.251 13.778 -7.652 1.00 0.00 C ATOM 527 NZ LYS A 31 -3.041 14.767 -6.866 1.00 0.00 N ATOM 0 H LYS A 31 3.220 10.957 -6.488 1.00 0.00 H new ATOM 0 HA LYS A 31 0.637 11.657 -5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.701 12.854 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.924 11.298 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.378 11.626 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.263 10.595 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.577 12.182 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.063 13.036 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.407 14.281 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.870 13.374 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.823 15.728 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.056 14.579 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.796 14.685 -5.859 1.00 0.00 H new ATOM 541 N ILE A 32 -0.062 9.236 -5.736 1.00 0.00 N ATOM 542 CA ILE A 32 -0.286 7.797 -5.638 1.00 0.00 C ATOM 543 C ILE A 32 -1.593 7.403 -6.314 1.00 0.00 C ATOM 544 O ILE A 32 -2.660 7.904 -5.963 1.00 0.00 O ATOM 545 CB ILE A 32 -0.321 7.330 -4.169 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.833 7.955 -3.383 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.256 5.812 -4.096 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.832 7.591 -1.913 1.00 0.00 C ATOM 0 H ILE A 32 -0.819 9.807 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 32 0.548 7.311 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.259 7.658 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.777 7.639 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.783 9.039 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.282 5.496 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.108 5.385 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.668 5.465 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.678 8.069 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.096 7.932 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.914 6.509 -1.806 1.00 0.00 H new ATOM 560 N LEU A 33 -1.503 6.505 -7.290 1.00 0.00 N ATOM 561 CA LEU A 33 -2.680 6.045 -8.017 1.00 0.00 C ATOM 562 C LEU A 33 -2.989 4.587 -7.689 1.00 0.00 C ATOM 563 O LEU A 33 -2.085 3.790 -7.445 1.00 0.00 O ATOM 564 CB LEU A 33 -2.468 6.208 -9.524 1.00 0.00 C ATOM 565 CG LEU A 33 -2.061 7.613 -9.972 1.00 0.00 C ATOM 566 CD1 LEU A 33 -0.999 7.542 -11.059 1.00 0.00 C ATOM 567 CD2 LEU A 33 -3.274 8.389 -10.463 1.00 0.00 C ATOM 0 H LEU A 33 -0.627 6.082 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.529 6.654 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.701 5.504 -9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.389 5.932 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.640 8.137 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.723 8.551 -11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.119 7.025 -10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.393 6.998 -11.918 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.965 9.386 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.724 7.865 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.003 8.472 -9.657 1.00 0.00 H new ATOM 579 N PHE A 34 -4.275 4.248 -7.688 1.00 0.00 N ATOM 580 CA PHE A 34 -4.706 2.888 -7.391 1.00 0.00 C ATOM 581 C PHE A 34 -5.736 2.409 -8.407 1.00 0.00 C ATOM 582 O PHE A 34 -6.706 3.108 -8.704 1.00 0.00 O ATOM 583 CB PHE A 34 -5.285 2.809 -5.978 1.00 0.00 C ATOM 584 CG PHE A 34 -4.537 1.871 -5.075 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.449 2.315 -4.342 1.00 0.00 C ATOM 586 CD2 PHE A 34 -4.922 0.545 -4.962 1.00 0.00 C ATOM 587 CE1 PHE A 34 -2.758 1.454 -3.512 1.00 0.00 C ATOM 588 CE2 PHE A 34 -4.234 -0.322 -4.133 1.00 0.00 C ATOM 589 CZ PHE A 34 -3.151 0.134 -3.408 1.00 0.00 C ATOM 0 H PHE A 34 -5.036 4.897 -7.890 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.834 2.236 -7.453 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.282 3.806 -5.536 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.326 2.490 -6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.137 3.346 -4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.769 0.185 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.912 1.812 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.543 -1.354 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.612 -0.541 -2.760 1.00 0.00 H new ATOM 599 N TYR A 35 -5.519 1.211 -8.937 1.00 0.00 N ATOM 600 CA TYR A 35 -6.425 0.632 -9.920 1.00 0.00 C ATOM 601 C TYR A 35 -6.689 -0.838 -9.614 1.00 0.00 C ATOM 602 O TYR A 35 -5.978 -1.454 -8.819 1.00 0.00 O ATOM 603 CB TYR A 35 -5.842 0.774 -11.327 1.00 0.00 C ATOM 604 CG TYR A 35 -5.318 2.160 -11.630 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.080 2.574 -11.157 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.062 3.054 -12.387 1.00 0.00 C ATOM 607 CE1 TYR A 35 -3.597 3.840 -11.432 1.00 0.00 C ATOM 608 CE2 TYR A 35 -5.588 4.322 -12.666 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.355 4.709 -12.187 1.00 0.00 C ATOM 610 OH TYR A 35 -3.878 5.970 -12.462 1.00 0.00 O ATOM 0 H TYR A 35 -4.721 0.621 -8.701 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.370 1.172 -9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.033 0.054 -11.450 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.610 0.518 -12.057 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.484 1.896 -10.564 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.028 2.754 -12.765 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.631 4.146 -11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.180 5.006 -13.256 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.230 6.272 -13.325 1.00 0.00 H new ATOM 620 N ASP A 36 -7.712 -1.396 -10.250 1.00 0.00 N ATOM 621 CA ASP A 36 -8.071 -2.795 -10.046 1.00 0.00 C ATOM 622 C ASP A 36 -7.687 -3.644 -11.254 1.00 0.00 C ATOM 623 O ASP A 36 -7.535 -4.861 -11.146 1.00 0.00 O ATOM 624 CB ASP A 36 -9.570 -2.924 -9.772 1.00 0.00 C ATOM 625 CG ASP A 36 -10.414 -2.334 -10.885 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.290 -1.117 -11.142 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.195 -3.087 -11.501 1.00 0.00 O ATOM 0 H ASP A 36 -8.309 -0.901 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.517 -3.161 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.824 -3.976 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.809 -2.423 -8.834 1.00 0.00 H new ATOM 632 N SER A 37 -7.531 -2.996 -12.406 1.00 0.00 N ATOM 633 CA SER A 37 -7.166 -3.697 -13.632 1.00 0.00 C ATOM 634 C SER A 37 -6.582 -2.731 -14.658 1.00 0.00 C ATOM 635 O SER A 37 -6.619 -1.515 -14.473 1.00 0.00 O ATOM 636 CB SER A 37 -8.386 -4.408 -14.221 1.00 0.00 C ATOM 637 OG SER A 37 -8.671 -5.603 -13.514 1.00 0.00 O ATOM 0 H SER A 37 -7.652 -1.989 -12.515 1.00 0.00 H new ATOM 0 HA SER A 37 -6.407 -4.439 -13.384 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.250 -3.745 -14.184 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.205 -4.637 -15.271 1.00 0.00 H new ATOM 0 HG SER A 37 -8.244 -5.572 -12.633 1.00 0.00 H new ATOM 643 N GLU A 38 -6.043 -3.282 -15.741 1.00 0.00 N ATOM 644 CA GLU A 38 -5.450 -2.471 -16.798 1.00 0.00 C ATOM 645 C GLU A 38 -6.519 -1.670 -17.532 1.00 0.00 C ATOM 646 O GLU A 38 -6.261 -0.566 -18.013 1.00 0.00 O ATOM 647 CB GLU A 38 -4.692 -3.359 -17.785 1.00 0.00 C ATOM 648 CG GLU A 38 -3.589 -2.630 -18.536 1.00 0.00 C ATOM 649 CD GLU A 38 -2.497 -3.565 -19.018 1.00 0.00 C ATOM 650 OE1 GLU A 38 -2.798 -4.458 -19.836 1.00 0.00 O ATOM 651 OE2 GLU A 38 -1.340 -3.403 -18.575 1.00 0.00 O ATOM 0 H GLU A 38 -6.005 -4.287 -15.909 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.751 -1.773 -16.338 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.258 -4.200 -17.245 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.398 -3.773 -18.505 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.020 -2.109 -19.391 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.152 -1.871 -17.887 1.00 0.00 H new ATOM 658 N GLN A 39 -7.720 -2.233 -17.616 1.00 0.00 N ATOM 659 CA GLN A 39 -8.829 -1.570 -18.293 1.00 0.00 C ATOM 660 C GLN A 39 -9.181 -0.257 -17.600 1.00 0.00 C ATOM 661 O GLN A 39 -9.402 0.762 -18.255 1.00 0.00 O ATOM 662 CB GLN A 39 -10.054 -2.486 -18.326 1.00 0.00 C ATOM 663 CG GLN A 39 -10.497 -2.960 -16.954 1.00 0.00 C ATOM 664 CD GLN A 39 -11.105 -4.349 -16.984 1.00 0.00 C ATOM 665 OE1 GLN A 39 -12.300 -4.521 -16.741 1.00 0.00 O ATOM 666 NE2 GLN A 39 -10.285 -5.348 -17.284 1.00 0.00 N ATOM 0 H GLN A 39 -7.950 -3.146 -17.224 1.00 0.00 H new ATOM 0 HA GLN A 39 -8.520 -1.350 -19.315 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.880 -1.957 -18.802 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.831 -3.354 -18.946 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.641 -2.957 -16.279 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.225 -2.257 -16.549 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.302 -5.160 -17.478 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.638 -6.304 -17.320 1.00 0.00 H new ATOM 675 N ASP A 40 -9.229 -0.288 -16.271 1.00 0.00 N ATOM 676 CA ASP A 40 -9.554 0.900 -15.491 1.00 0.00 C ATOM 677 C ASP A 40 -8.411 1.910 -15.538 1.00 0.00 C ATOM 678 O ASP A 40 -8.632 3.119 -15.469 1.00 0.00 O ATOM 679 CB ASP A 40 -9.851 0.517 -14.041 1.00 0.00 C ATOM 680 CG ASP A 40 -11.320 0.213 -13.813 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.911 -0.513 -14.641 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.877 0.698 -12.806 1.00 0.00 O ATOM 0 H ASP A 40 -9.047 -1.122 -15.713 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.441 1.360 -15.927 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.256 -0.355 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.545 1.330 -13.383 1.00 0.00 H new ATOM 687 N LYS A 41 -7.187 1.405 -15.656 1.00 0.00 N ATOM 688 CA LYS A 41 -6.008 2.262 -15.712 1.00 0.00 C ATOM 689 C LYS A 41 -5.970 3.049 -17.019 1.00 0.00 C ATOM 690 O LYS A 41 -5.717 4.254 -17.023 1.00 0.00 O ATOM 691 CB LYS A 41 -4.736 1.426 -15.569 1.00 0.00 C ATOM 692 CG LYS A 41 -3.658 2.095 -14.732 1.00 0.00 C ATOM 693 CD LYS A 41 -2.933 3.176 -15.518 1.00 0.00 C ATOM 694 CE LYS A 41 -1.650 2.646 -16.139 1.00 0.00 C ATOM 695 NZ LYS A 41 -1.897 1.448 -16.987 1.00 0.00 N ATOM 0 H LYS A 41 -6.986 0.407 -15.715 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.064 2.969 -14.884 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.991 0.467 -15.119 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.336 1.216 -16.561 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.107 2.532 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.941 1.347 -14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.587 3.558 -16.302 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.701 4.013 -14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.188 3.428 -16.742 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.942 2.392 -15.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.022 1.189 -17.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.202 0.655 -16.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.640 1.662 -17.682 1.00 0.00 H new ATOM 709 N GLU A 42 -6.222 2.360 -18.127 1.00 0.00 N ATOM 710 CA GLU A 42 -6.218 2.992 -19.441 1.00 0.00 C ATOM 711 C GLU A 42 -7.406 3.938 -19.599 1.00 0.00 C ATOM 712 O GLU A 42 -7.362 4.877 -20.393 1.00 0.00 O ATOM 713 CB GLU A 42 -6.247 1.930 -20.541 1.00 0.00 C ATOM 714 CG GLU A 42 -7.521 1.100 -20.553 1.00 0.00 C ATOM 715 CD GLU A 42 -8.034 0.839 -21.956 1.00 0.00 C ATOM 716 OE1 GLU A 42 -8.482 1.802 -22.613 1.00 0.00 O ATOM 717 OE2 GLU A 42 -7.986 -0.328 -22.397 1.00 0.00 O ATOM 0 H GLU A 42 -6.432 1.362 -18.141 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.301 3.575 -19.531 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.132 2.418 -21.509 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.392 1.266 -20.416 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.335 0.148 -20.055 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.291 1.615 -19.979 1.00 0.00 H new ATOM 724 N GLN A 43 -8.469 3.683 -18.837 1.00 0.00 N ATOM 725 CA GLN A 43 -9.666 4.515 -18.895 1.00 0.00 C ATOM 726 C GLN A 43 -9.470 5.832 -18.143 1.00 0.00 C ATOM 727 O GLN A 43 -10.347 6.696 -18.153 1.00 0.00 O ATOM 728 CB GLN A 43 -10.864 3.757 -18.316 1.00 0.00 C ATOM 729 CG GLN A 43 -11.847 3.279 -19.372 1.00 0.00 C ATOM 730 CD GLN A 43 -12.338 4.404 -20.263 1.00 0.00 C ATOM 731 OE1 GLN A 43 -12.296 4.302 -21.489 1.00 0.00 O ATOM 732 NE2 GLN A 43 -12.804 5.484 -19.648 1.00 0.00 N ATOM 0 H GLN A 43 -8.524 2.909 -18.175 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.857 4.750 -19.942 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.502 2.897 -17.752 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.386 4.403 -17.611 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.371 2.515 -19.987 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.700 2.809 -18.883 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.819 5.524 -18.629 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.147 6.274 -20.195 1.00 0.00 H new ATOM 741 N SER A 44 -8.318 5.983 -17.493 1.00 0.00 N ATOM 742 CA SER A 44 -8.020 7.196 -16.740 1.00 0.00 C ATOM 743 C SER A 44 -9.003 7.380 -15.589 1.00 0.00 C ATOM 744 O SER A 44 -9.414 8.499 -15.281 1.00 0.00 O ATOM 745 CB SER A 44 -8.059 8.417 -17.662 1.00 0.00 C ATOM 746 OG SER A 44 -6.781 8.677 -18.217 1.00 0.00 O ATOM 0 H SER A 44 -7.578 5.281 -17.473 1.00 0.00 H new ATOM 0 HA SER A 44 -7.018 7.097 -16.323 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.780 8.249 -18.463 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.400 9.288 -17.103 1.00 0.00 H new ATOM 0 HG SER A 44 -6.832 9.460 -18.804 1.00 0.00 H new ATOM 752 N ASN A 45 -9.376 6.271 -14.955 1.00 0.00 N ATOM 753 CA ASN A 45 -10.310 6.308 -13.836 1.00 0.00 C ATOM 754 C ASN A 45 -9.743 5.554 -12.633 1.00 0.00 C ATOM 755 O ASN A 45 -10.223 4.477 -12.279 1.00 0.00 O ATOM 756 CB ASN A 45 -11.658 5.712 -14.252 1.00 0.00 C ATOM 757 CG ASN A 45 -12.816 6.643 -13.956 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.752 6.281 -13.242 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.760 7.849 -14.506 1.00 0.00 N ATOM 0 H ASN A 45 -9.045 5.337 -15.198 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.460 7.348 -13.547 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.639 5.487 -15.318 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.812 4.768 -13.730 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.512 8.519 -14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.965 8.106 -15.091 1.00 0.00 H new ATOM 766 N PRO A 46 -8.705 6.114 -11.989 1.00 0.00 N ATOM 767 CA PRO A 46 -8.070 5.491 -10.823 1.00 0.00 C ATOM 768 C PRO A 46 -9.072 5.157 -9.724 1.00 0.00 C ATOM 769 O PRO A 46 -9.795 6.029 -9.244 1.00 0.00 O ATOM 770 CB PRO A 46 -7.084 6.557 -10.338 1.00 0.00 C ATOM 771 CG PRO A 46 -6.799 7.389 -11.539 1.00 0.00 C ATOM 772 CD PRO A 46 -8.067 7.394 -12.347 1.00 0.00 C ATOM 0 HA PRO A 46 -7.600 4.541 -11.079 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.513 7.156 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.173 6.104 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.513 8.402 -11.254 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.971 6.974 -12.114 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.701 8.244 -12.094 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.862 7.456 -13.416 1.00 0.00 H new ATOM 780 N TYR A 47 -9.106 3.889 -9.326 1.00 0.00 N ATOM 781 CA TYR A 47 -10.014 3.440 -8.276 1.00 0.00 C ATOM 782 C TYR A 47 -9.815 4.261 -7.006 1.00 0.00 C ATOM 783 O TYR A 47 -10.756 4.496 -6.248 1.00 0.00 O ATOM 784 CB TYR A 47 -9.789 1.955 -7.982 1.00 0.00 C ATOM 785 CG TYR A 47 -10.655 1.418 -6.864 1.00 0.00 C ATOM 786 CD1 TYR A 47 -12.032 1.309 -7.015 1.00 0.00 C ATOM 787 CD2 TYR A 47 -10.094 1.016 -5.658 1.00 0.00 C ATOM 788 CE1 TYR A 47 -12.825 0.819 -5.996 1.00 0.00 C ATOM 789 CE2 TYR A 47 -10.880 0.524 -4.635 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.245 0.426 -4.808 1.00 0.00 C ATOM 791 OH TYR A 47 -13.031 -0.064 -3.791 1.00 0.00 O ATOM 0 H TYR A 47 -8.515 3.154 -9.715 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.038 3.581 -8.623 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.983 1.381 -8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.741 1.799 -7.725 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.490 1.613 -7.945 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.026 1.090 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -13.894 0.744 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.428 0.217 -3.703 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.467 -0.296 -3.024 1.00 0.00 H new ATOM 801 N MET A 48 -8.580 4.699 -6.787 1.00 0.00 N ATOM 802 CA MET A 48 -8.243 5.501 -5.617 1.00 0.00 C ATOM 803 C MET A 48 -6.927 6.238 -5.840 1.00 0.00 C ATOM 804 O MET A 48 -5.992 5.692 -6.424 1.00 0.00 O ATOM 805 CB MET A 48 -8.146 4.616 -4.373 1.00 0.00 C ATOM 806 CG MET A 48 -8.717 5.262 -3.123 1.00 0.00 C ATOM 807 SD MET A 48 -8.289 4.365 -1.618 1.00 0.00 S ATOM 808 CE MET A 48 -6.502 4.346 -1.733 1.00 0.00 C ATOM 0 H MET A 48 -7.793 4.511 -7.408 1.00 0.00 H new ATOM 0 HA MET A 48 -9.034 6.235 -5.463 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.672 3.680 -4.561 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.100 4.364 -4.197 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.350 6.286 -3.048 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.802 5.318 -3.211 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.072 4.498 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.173 3.385 -2.128 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.172 5.144 -2.398 1.00 0.00 H new ATOM 818 N VAL A 49 -6.859 7.481 -5.378 1.00 0.00 N ATOM 819 CA VAL A 49 -5.655 8.283 -5.540 1.00 0.00 C ATOM 820 C VAL A 49 -5.307 9.029 -4.255 1.00 0.00 C ATOM 821 O VAL A 49 -6.156 9.694 -3.660 1.00 0.00 O ATOM 822 CB VAL A 49 -5.807 9.295 -6.693 1.00 0.00 C ATOM 823 CG1 VAL A 49 -6.936 10.273 -6.403 1.00 0.00 C ATOM 824 CG2 VAL A 49 -4.499 10.033 -6.937 1.00 0.00 C ATOM 0 H VAL A 49 -7.621 7.953 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.845 7.593 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.059 8.746 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.027 10.979 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.872 9.725 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.719 10.816 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.628 10.742 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.210 10.570 -6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.720 9.316 -7.198 1.00 0.00 H new ATOM 834 N LEU A 50 -4.050 8.916 -3.835 1.00 0.00 N ATOM 835 CA LEU A 50 -3.582 9.579 -2.625 1.00 0.00 C ATOM 836 C LEU A 50 -2.369 10.453 -2.923 1.00 0.00 C ATOM 837 O LEU A 50 -1.603 10.175 -3.844 1.00 0.00 O ATOM 838 CB LEU A 50 -3.225 8.548 -1.551 1.00 0.00 C ATOM 839 CG LEU A 50 -4.119 7.305 -1.518 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.388 6.107 -2.109 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.570 7.008 -0.095 1.00 0.00 C ATOM 0 H LEU A 50 -3.337 8.369 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.389 10.212 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.194 8.230 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.268 9.033 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.004 7.501 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.038 5.232 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.116 6.320 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.486 5.910 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.204 6.122 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.697 6.832 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.132 7.857 0.293 1.00 0.00 H new ATOM 853 N ASP A 51 -2.198 11.510 -2.137 1.00 0.00 N ATOM 854 CA ASP A 51 -1.075 12.422 -2.316 1.00 0.00 C ATOM 855 C ASP A 51 0.129 11.968 -1.496 1.00 0.00 C ATOM 856 O ASP A 51 0.041 11.831 -0.276 1.00 0.00 O ATOM 857 CB ASP A 51 -1.475 13.843 -1.916 1.00 0.00 C ATOM 858 CG ASP A 51 -2.623 14.377 -2.749 1.00 0.00 C ATOM 859 OD1 ASP A 51 -2.419 14.613 -3.959 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.725 14.561 -2.193 1.00 0.00 O ATOM 0 H ASP A 51 -2.823 11.756 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.797 12.415 -3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.757 13.855 -0.863 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.614 14.503 -2.023 1.00 0.00 H new ATOM 865 N ILE A 52 1.250 11.739 -2.172 1.00 0.00 N ATOM 866 CA ILE A 52 2.469 11.301 -1.503 1.00 0.00 C ATOM 867 C ILE A 52 2.871 12.279 -0.403 1.00 0.00 C ATOM 868 O ILE A 52 3.342 11.874 0.661 1.00 0.00 O ATOM 869 CB ILE A 52 3.637 11.154 -2.500 1.00 0.00 C ATOM 870 CG1 ILE A 52 3.259 10.183 -3.621 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.895 10.679 -1.783 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.387 9.908 -4.593 1.00 0.00 C ATOM 0 H ILE A 52 1.339 11.849 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 52 2.257 10.328 -1.061 1.00 0.00 H new ATOM 0 HB ILE A 52 3.842 12.130 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.934 9.241 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.409 10.588 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.708 10.581 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.173 11.403 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.705 9.713 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.046 9.212 -5.359 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.698 10.841 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.231 9.473 -4.058 1.00 0.00 H new ATOM 884 N ASP A 53 2.682 13.566 -0.664 1.00 0.00 N ATOM 885 CA ASP A 53 3.024 14.602 0.303 1.00 0.00 C ATOM 886 C ASP A 53 2.147 14.495 1.547 1.00 0.00 C ATOM 887 O ASP A 53 2.565 14.853 2.647 1.00 0.00 O ATOM 888 CB ASP A 53 2.874 15.986 -0.332 1.00 0.00 C ATOM 889 CG ASP A 53 3.200 17.108 0.634 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.446 17.288 1.612 1.00 0.00 O ATOM 891 OD2 ASP A 53 4.212 17.806 0.411 1.00 0.00 O ATOM 0 H ASP A 53 2.293 13.918 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 53 4.062 14.460 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.530 16.057 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.853 16.107 -0.693 1.00 0.00 H new ATOM 896 N LYS A 54 0.927 13.998 1.363 1.00 0.00 N ATOM 897 CA LYS A 54 -0.009 13.843 2.472 1.00 0.00 C ATOM 898 C LYS A 54 0.418 12.707 3.398 1.00 0.00 C ATOM 899 O LYS A 54 0.015 12.660 4.560 1.00 0.00 O ATOM 900 CB LYS A 54 -1.420 13.582 1.942 1.00 0.00 C ATOM 901 CG LYS A 54 -2.203 14.852 1.652 1.00 0.00 C ATOM 902 CD LYS A 54 -3.692 14.654 1.884 1.00 0.00 C ATOM 903 CE LYS A 54 -4.447 15.972 1.817 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.844 15.790 1.337 1.00 0.00 N ATOM 0 H LYS A 54 0.564 13.696 0.459 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.007 14.770 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.353 12.990 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.968 12.985 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.839 15.658 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.032 15.158 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.090 13.967 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.851 14.192 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.460 16.433 2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.922 16.658 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.323 16.712 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.832 15.374 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.354 15.156 1.985 1.00 0.00 H new ATOM 918 N LEU A 55 1.236 11.794 2.880 1.00 0.00 N ATOM 919 CA LEU A 55 1.714 10.662 3.668 1.00 0.00 C ATOM 920 C LEU A 55 2.353 11.134 4.969 1.00 0.00 C ATOM 921 O LEU A 55 3.024 12.166 5.003 1.00 0.00 O ATOM 922 CB LEU A 55 2.721 9.838 2.862 1.00 0.00 C ATOM 923 CG LEU A 55 2.193 9.266 1.546 1.00 0.00 C ATOM 924 CD1 LEU A 55 3.214 8.328 0.926 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.870 8.547 1.765 1.00 0.00 C ATOM 0 H LEU A 55 1.581 11.816 1.920 1.00 0.00 H new ATOM 0 HA LEU A 55 0.856 10.036 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.587 10.464 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.071 9.013 3.483 1.00 0.00 H new ATOM 0 HG LEU A 55 2.022 10.093 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.821 7.930 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.137 8.873 0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.417 7.506 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.512 8.148 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.013 7.730 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.137 9.248 2.164 1.00 0.00 H new ATOM 937 N PHE A 56 2.142 10.373 6.036 1.00 0.00 N ATOM 938 CA PHE A 56 2.698 10.715 7.338 1.00 0.00 C ATOM 939 C PHE A 56 3.909 9.847 7.659 1.00 0.00 C ATOM 940 O PHE A 56 4.864 10.306 8.285 1.00 0.00 O ATOM 941 CB PHE A 56 1.637 10.555 8.427 1.00 0.00 C ATOM 942 CG PHE A 56 0.728 11.744 8.556 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.247 13.006 8.794 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.644 11.597 8.439 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.414 14.101 8.912 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.483 12.689 8.557 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.953 13.943 8.794 1.00 0.00 C ATOM 0 H PHE A 56 1.590 9.515 6.025 1.00 0.00 H new ATOM 0 HA PHE A 56 3.020 11.756 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.037 9.671 8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.132 10.380 9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.315 13.135 8.888 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.063 10.619 8.254 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.831 15.080 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.552 12.562 8.464 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.606 14.798 8.887 1.00 0.00 H new ATOM 957 N HIS A 57 3.864 8.591 7.227 1.00 0.00 N ATOM 958 CA HIS A 57 4.963 7.664 7.473 1.00 0.00 C ATOM 959 C HIS A 57 4.680 6.295 6.859 1.00 0.00 C ATOM 960 O HIS A 57 3.570 5.773 6.960 1.00 0.00 O ATOM 961 CB HIS A 57 5.209 7.521 8.977 1.00 0.00 C ATOM 962 CG HIS A 57 6.601 7.885 9.393 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.687 7.796 8.547 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.082 8.342 10.573 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.776 8.182 9.190 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.435 8.520 10.421 1.00 0.00 N ATOM 0 H HIS A 57 3.082 8.193 6.707 1.00 0.00 H new ATOM 0 HA HIS A 57 5.857 8.071 7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.501 8.152 9.514 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.007 6.492 9.274 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.508 8.531 11.468 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.774 8.215 8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.073 8.858 11.141 1.00 0.00 H new ATOM 975 N VAL A 58 5.701 5.714 6.234 1.00 0.00 N ATOM 976 CA VAL A 58 5.576 4.401 5.613 1.00 0.00 C ATOM 977 C VAL A 58 6.555 3.415 6.241 1.00 0.00 C ATOM 978 O VAL A 58 7.762 3.656 6.261 1.00 0.00 O ATOM 979 CB VAL A 58 5.836 4.468 4.094 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.549 3.124 3.441 1.00 0.00 C ATOM 981 CG2 VAL A 58 5.004 5.571 3.456 1.00 0.00 C ATOM 0 H VAL A 58 6.626 6.134 6.145 1.00 0.00 H new ATOM 0 HA VAL A 58 4.554 4.062 5.781 1.00 0.00 H new ATOM 0 HB VAL A 58 6.888 4.703 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.738 3.192 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.196 2.362 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.507 2.853 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.202 5.602 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.946 5.372 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.268 6.530 3.902 1.00 0.00 H new ATOM 991 N ARG A 59 6.031 2.311 6.761 1.00 0.00 N ATOM 992 CA ARG A 59 6.872 1.301 7.396 1.00 0.00 C ATOM 993 C ARG A 59 6.209 -0.074 7.360 1.00 0.00 C ATOM 994 O ARG A 59 4.984 -0.180 7.291 1.00 0.00 O ATOM 995 CB ARG A 59 7.170 1.698 8.844 1.00 0.00 C ATOM 996 CG ARG A 59 7.737 3.101 8.986 1.00 0.00 C ATOM 997 CD ARG A 59 8.156 3.389 10.418 1.00 0.00 C ATOM 998 NE ARG A 59 9.572 3.105 10.642 1.00 0.00 N ATOM 999 CZ ARG A 59 10.562 3.899 10.238 1.00 0.00 C ATOM 1000 NH1 ARG A 59 10.294 5.027 9.591 1.00 0.00 N ATOM 1001 NH2 ARG A 59 11.820 3.565 10.481 1.00 0.00 N ATOM 0 H ARG A 59 5.035 2.092 6.756 1.00 0.00 H new ATOM 0 HA ARG A 59 7.806 1.243 6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.253 1.625 9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.876 0.985 9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.595 3.217 8.324 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.991 3.830 8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.955 4.435 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.554 2.789 11.100 1.00 0.00 H new ATOM 0 HE ARG A 59 9.817 2.248 11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.327 5.289 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.056 5.632 9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.031 2.699 10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.578 4.173 10.171 1.00 0.00 H new ATOM 1015 N PRO A 60 7.015 -1.149 7.406 1.00 0.00 N ATOM 1016 CA PRO A 60 6.504 -2.523 7.380 1.00 0.00 C ATOM 1017 C PRO A 60 5.641 -2.842 8.597 1.00 0.00 C ATOM 1018 O PRO A 60 5.730 -2.172 9.625 1.00 0.00 O ATOM 1019 CB PRO A 60 7.772 -3.385 7.385 1.00 0.00 C ATOM 1020 CG PRO A 60 8.838 -2.501 7.935 1.00 0.00 C ATOM 1021 CD PRO A 60 8.485 -1.111 7.490 1.00 0.00 C ATOM 0 HA PRO A 60 5.861 -2.698 6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.641 -4.275 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.021 -3.726 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.877 -2.566 9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.820 -2.794 7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.829 -0.361 8.202 1.00 0.00 H new ATOM 0 HD3 PRO A 60 8.937 -0.869 6.528 1.00 0.00 H new ATOM 1029 N VAL A 61 4.809 -3.869 8.471 1.00 0.00 N ATOM 1030 CA VAL A 61 3.931 -4.278 9.560 1.00 0.00 C ATOM 1031 C VAL A 61 4.474 -5.512 10.272 1.00 0.00 C ATOM 1032 O VAL A 61 5.495 -6.072 9.872 1.00 0.00 O ATOM 1033 CB VAL A 61 2.506 -4.575 9.055 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.874 -3.321 8.471 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.524 -5.698 8.028 1.00 0.00 C ATOM 0 H VAL A 61 4.724 -4.434 7.626 1.00 0.00 H new ATOM 0 HA VAL A 61 3.892 -3.445 10.262 1.00 0.00 H new ATOM 0 HB VAL A 61 1.902 -4.899 9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.868 -3.550 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.823 -2.548 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.477 -2.964 7.636 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.508 -5.893 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.145 -5.406 7.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.932 -6.601 8.483 1.00 0.00 H new ATOM 1045 N THR A 62 3.787 -5.932 11.328 1.00 0.00 N ATOM 1046 CA THR A 62 4.201 -7.100 12.095 1.00 0.00 C ATOM 1047 C THR A 62 3.048 -8.085 12.253 1.00 0.00 C ATOM 1048 O THR A 62 1.947 -7.852 11.753 1.00 0.00 O ATOM 1049 CB THR A 62 4.717 -6.675 13.472 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.749 -5.896 14.152 1.00 0.00 O ATOM 1051 CG2 THR A 62 5.994 -5.866 13.408 1.00 0.00 C ATOM 0 H THR A 62 2.940 -5.480 11.673 1.00 0.00 H new ATOM 0 HA THR A 62 5.005 -7.595 11.550 1.00 0.00 H new ATOM 0 HB THR A 62 4.920 -7.604 14.004 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.097 -5.636 15.030 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.305 -5.597 14.417 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.776 -6.458 12.933 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.822 -4.959 12.828 1.00 0.00 H new ATOM 1059 N GLN A 63 3.307 -9.186 12.951 1.00 0.00 N ATOM 1060 CA GLN A 63 2.291 -10.208 13.175 1.00 0.00 C ATOM 1061 C GLN A 63 1.080 -9.632 13.908 1.00 0.00 C ATOM 1062 O GLN A 63 -0.009 -10.201 13.862 1.00 0.00 O ATOM 1063 CB GLN A 63 2.875 -11.374 13.973 1.00 0.00 C ATOM 1064 CG GLN A 63 2.071 -12.658 13.849 1.00 0.00 C ATOM 1065 CD GLN A 63 2.413 -13.441 12.597 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.585 -13.656 12.286 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.389 -13.874 11.871 1.00 0.00 N ATOM 0 H GLN A 63 4.213 -9.393 13.372 1.00 0.00 H new ATOM 0 HA GLN A 63 1.962 -10.570 12.201 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.895 -11.560 13.636 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.933 -11.091 15.024 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.252 -13.282 14.724 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.008 -12.418 13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.434 -13.673 12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.558 -14.408 11.018 1.00 0.00 H new ATOM 1076 N THR A 64 1.278 -8.504 14.582 1.00 0.00 N ATOM 1077 CA THR A 64 0.199 -7.859 15.322 1.00 0.00 C ATOM 1078 C THR A 64 -0.765 -7.141 14.379 1.00 0.00 C ATOM 1079 O THR A 64 -1.910 -6.870 14.739 1.00 0.00 O ATOM 1080 CB THR A 64 0.770 -6.868 16.336 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.466 -5.823 15.679 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.724 -7.504 17.323 1.00 0.00 C ATOM 0 H THR A 64 2.174 -8.018 14.631 1.00 0.00 H new ATOM 0 HA THR A 64 -0.354 -8.635 15.851 1.00 0.00 H new ATOM 0 HB THR A 64 -0.092 -6.486 16.883 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.267 -6.185 15.245 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.092 -6.745 18.014 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.204 -8.282 17.882 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.564 -7.944 16.785 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.294 -6.831 13.174 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.117 -6.141 12.186 1.00 0.00 C ATOM 1092 C ASP A 65 -2.228 -7.048 11.665 1.00 0.00 C ATOM 1093 O ASP A 65 -3.319 -6.579 11.339 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.251 -5.654 11.024 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.884 -4.495 10.278 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.763 -4.745 9.428 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.501 -3.338 10.547 1.00 0.00 O ATOM 0 H ASP A 65 0.652 -7.046 12.859 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.579 -5.282 12.673 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.724 -5.349 11.404 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.080 -6.478 10.332 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.948 -8.344 11.587 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.928 -9.308 11.104 1.00 0.00 C ATOM 1104 C VAL A 66 -2.779 -10.651 11.808 1.00 0.00 C ATOM 1105 O VAL A 66 -1.695 -11.007 12.270 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.816 -9.527 9.582 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.675 -8.519 8.836 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -1.365 -9.447 9.128 1.00 0.00 C ATOM 0 H VAL A 66 -1.051 -8.751 11.852 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.908 -8.887 11.329 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.184 -10.527 9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.585 -8.687 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.717 -8.636 9.135 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.341 -7.509 9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.312 -9.605 8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.961 -8.464 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.782 -10.215 9.636 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.877 -11.391 11.887 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.879 -12.696 12.536 1.00 0.00 C ATOM 1120 C TYR A 67 -4.117 -13.812 11.523 1.00 0.00 C ATOM 1121 O TYR A 67 -3.406 -14.815 11.509 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.955 -12.739 13.621 1.00 0.00 C ATOM 1123 CG TYR A 67 -6.352 -12.508 13.090 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.837 -11.222 12.892 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -7.185 -13.577 12.783 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -8.112 -11.007 12.403 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.461 -13.371 12.293 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.919 -12.084 12.106 1.00 0.00 C ATOM 1129 OH TYR A 67 -10.188 -11.875 11.619 1.00 0.00 O ATOM 0 H TYR A 67 -4.781 -11.109 11.508 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.901 -12.851 12.991 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.919 -13.708 14.120 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.731 -11.984 14.375 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.208 -10.376 13.124 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.829 -14.586 12.930 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.474 -10.000 12.254 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.095 -14.213 12.058 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.624 -12.738 11.460 1.00 0.00 H new ATOM 1139 N ARG A 68 -5.127 -13.630 10.675 1.00 0.00 N ATOM 1140 CA ARG A 68 -5.458 -14.627 9.660 1.00 0.00 C ATOM 1141 C ARG A 68 -4.398 -14.675 8.560 1.00 0.00 C ATOM 1142 O ARG A 68 -4.394 -15.585 7.731 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.839 -14.352 9.047 1.00 0.00 C ATOM 1144 CG ARG A 68 -7.146 -12.879 8.818 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.126 -12.226 7.901 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.562 -10.904 7.454 1.00 0.00 N ATOM 1147 CZ ARG A 68 -6.220 -10.359 6.288 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -5.424 -11.009 5.448 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.673 -9.156 5.963 1.00 0.00 N ATOM 0 H ARG A 68 -5.728 -12.806 10.670 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.482 -15.597 10.156 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.911 -14.877 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.603 -14.772 9.701 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.141 -12.778 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.161 -12.358 9.775 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.173 -12.137 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.956 -12.865 7.034 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.166 -10.365 8.074 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.069 -11.933 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.167 -10.584 4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.282 -8.650 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.412 -8.737 5.070 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.496 -13.696 8.557 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.434 -13.638 7.562 1.00 0.00 C ATOM 1165 C ALA A 69 -1.427 -14.765 7.774 1.00 0.00 C ATOM 1166 O ALA A 69 -1.701 -15.726 8.492 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.743 -12.285 7.610 1.00 0.00 C ATOM 0 H ALA A 69 -3.481 -12.933 9.234 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.879 -13.767 6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.951 -12.254 6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.469 -11.498 7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.313 -12.131 8.600 1.00 0.00 H new ATOM 1173 N ASP A 70 -0.261 -14.640 7.148 1.00 0.00 N ATOM 1174 CA ASP A 70 0.785 -15.648 7.273 1.00 0.00 C ATOM 1175 C ASP A 70 2.087 -15.023 7.760 1.00 0.00 C ATOM 1176 O ASP A 70 2.476 -13.946 7.310 1.00 0.00 O ATOM 1177 CB ASP A 70 1.008 -16.350 5.931 1.00 0.00 C ATOM 1178 CG ASP A 70 0.750 -17.843 6.008 1.00 0.00 C ATOM 1179 OD1 ASP A 70 -0.054 -18.262 6.867 1.00 0.00 O ATOM 1180 OD2 ASP A 70 1.352 -18.592 5.210 1.00 0.00 O ATOM 0 H ASP A 70 -0.017 -13.851 6.549 1.00 0.00 H new ATOM 0 HA ASP A 70 0.462 -16.384 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.352 -15.909 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.032 -16.178 5.600 1.00 0.00 H new ATOM 1185 N ALA A 71 2.758 -15.707 8.684 1.00 0.00 N ATOM 1186 CA ALA A 71 4.019 -15.218 9.237 1.00 0.00 C ATOM 1187 C ALA A 71 4.996 -14.829 8.132 1.00 0.00 C ATOM 1188 O ALA A 71 5.774 -13.885 8.281 1.00 0.00 O ATOM 1189 CB ALA A 71 4.636 -16.269 10.148 1.00 0.00 C ATOM 0 H ALA A 71 2.450 -16.601 9.066 1.00 0.00 H new ATOM 0 HA ALA A 71 3.807 -14.323 9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.575 -15.893 10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.950 -16.490 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.826 -17.179 9.578 1.00 0.00 H new ATOM 1195 N LYS A 72 4.951 -15.561 7.023 1.00 0.00 N ATOM 1196 CA LYS A 72 5.832 -15.291 5.894 1.00 0.00 C ATOM 1197 C LYS A 72 5.368 -14.058 5.124 1.00 0.00 C ATOM 1198 O LYS A 72 6.168 -13.379 4.480 1.00 0.00 O ATOM 1199 CB LYS A 72 5.881 -16.499 4.958 1.00 0.00 C ATOM 1200 CG LYS A 72 6.258 -17.797 5.658 1.00 0.00 C ATOM 1201 CD LYS A 72 7.381 -18.519 4.931 1.00 0.00 C ATOM 1202 CE LYS A 72 7.113 -20.013 4.835 1.00 0.00 C ATOM 1203 NZ LYS A 72 8.369 -20.808 4.929 1.00 0.00 N ATOM 0 H LYS A 72 4.314 -16.345 6.883 1.00 0.00 H new ATOM 0 HA LYS A 72 6.832 -15.100 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.907 -16.621 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.600 -16.303 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.565 -17.583 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.385 -18.447 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.494 -18.103 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.322 -18.350 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.433 -20.312 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.614 -20.233 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.145 -21.821 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.008 -20.541 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.833 -20.618 5.840 1.00 0.00 H new ATOM 1217 N GLU A 73 4.071 -13.774 5.193 1.00 0.00 N ATOM 1218 CA GLU A 73 3.501 -12.625 4.503 1.00 0.00 C ATOM 1219 C GLU A 73 3.753 -11.336 5.279 1.00 0.00 C ATOM 1220 O GLU A 73 3.933 -10.270 4.690 1.00 0.00 O ATOM 1221 CB GLU A 73 1.997 -12.822 4.299 1.00 0.00 C ATOM 1222 CG GLU A 73 1.645 -14.058 3.484 1.00 0.00 C ATOM 1223 CD GLU A 73 2.417 -14.140 2.181 1.00 0.00 C ATOM 1224 OE1 GLU A 73 2.029 -13.447 1.218 1.00 0.00 O ATOM 1225 OE2 GLU A 73 3.409 -14.897 2.125 1.00 0.00 O ATOM 0 H GLU A 73 3.395 -14.326 5.721 1.00 0.00 H new ATOM 0 HA GLU A 73 3.988 -12.542 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.513 -12.891 5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.589 -11.942 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.847 -14.949 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.576 -14.054 3.269 1.00 0.00 H new ATOM 1232 N ILE A 74 3.763 -11.441 6.605 1.00 0.00 N ATOM 1233 CA ILE A 74 3.990 -10.284 7.468 1.00 0.00 C ATOM 1234 C ILE A 74 5.171 -9.436 6.988 1.00 0.00 C ATOM 1235 O ILE A 74 5.033 -8.227 6.799 1.00 0.00 O ATOM 1236 CB ILE A 74 4.230 -10.706 8.932 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.126 -11.654 9.408 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.305 -9.482 9.832 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.726 -11.133 9.159 1.00 0.00 C ATOM 0 H ILE A 74 3.616 -12.317 7.107 1.00 0.00 H new ATOM 0 HA ILE A 74 3.083 -9.682 7.415 1.00 0.00 H new ATOM 0 HB ILE A 74 5.182 -11.234 8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.242 -12.614 8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.252 -11.837 10.475 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.475 -9.797 10.862 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.126 -8.842 9.508 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.368 -8.928 9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.998 -11.858 9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.591 -10.188 9.685 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.581 -10.977 8.090 1.00 0.00 H new ATOM 1251 N PRO A 75 6.353 -10.050 6.785 1.00 0.00 N ATOM 1252 CA PRO A 75 7.545 -9.325 6.329 1.00 0.00 C ATOM 1253 C PRO A 75 7.376 -8.736 4.930 1.00 0.00 C ATOM 1254 O PRO A 75 8.161 -7.887 4.508 1.00 0.00 O ATOM 1255 CB PRO A 75 8.644 -10.392 6.330 1.00 0.00 C ATOM 1256 CG PRO A 75 7.921 -11.690 6.250 1.00 0.00 C ATOM 1257 CD PRO A 75 6.626 -11.486 6.984 1.00 0.00 C ATOM 0 HA PRO A 75 7.763 -8.471 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.319 -10.264 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.250 -10.333 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.742 -11.974 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.505 -12.491 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.829 -12.108 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.718 -11.737 8.041 1.00 0.00 H new ATOM 1265 N ARG A 76 6.352 -9.192 4.212 1.00 0.00 N ATOM 1266 CA ARG A 76 6.094 -8.705 2.861 1.00 0.00 C ATOM 1267 C ARG A 76 4.936 -7.704 2.838 1.00 0.00 C ATOM 1268 O ARG A 76 4.511 -7.266 1.768 1.00 0.00 O ATOM 1269 CB ARG A 76 5.784 -9.875 1.926 1.00 0.00 C ATOM 1270 CG ARG A 76 6.728 -11.056 2.090 1.00 0.00 C ATOM 1271 CD ARG A 76 6.539 -12.076 0.979 1.00 0.00 C ATOM 1272 NE ARG A 76 6.540 -13.446 1.487 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.007 -14.479 0.838 1.00 0.00 C ATOM 1274 NH1 ARG A 76 5.431 -14.304 -0.345 1.00 0.00 N ATOM 1275 NH2 ARG A 76 6.051 -15.691 1.373 1.00 0.00 N ATOM 0 H ARG A 76 5.691 -9.895 4.542 1.00 0.00 H new ATOM 0 HA ARG A 76 6.993 -8.194 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.762 -10.210 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.829 -9.526 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.759 -10.702 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.554 -11.531 3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.598 -11.881 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.335 -11.962 0.243 1.00 0.00 H new ATOM 0 HE ARG A 76 6.975 -13.621 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.395 -13.374 -0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.025 -15.100 -0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.493 -15.832 2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.643 -16.483 0.876 1.00 0.00 H new ATOM 1289 N ILE A 77 4.430 -7.344 4.014 1.00 0.00 N ATOM 1290 CA ILE A 77 3.324 -6.397 4.109 1.00 0.00 C ATOM 1291 C ILE A 77 3.775 -5.083 4.736 1.00 0.00 C ATOM 1292 O ILE A 77 4.369 -5.069 5.815 1.00 0.00 O ATOM 1293 CB ILE A 77 2.157 -6.979 4.938 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.681 -8.298 4.330 1.00 0.00 C ATOM 1295 CG2 ILE A 77 1.007 -5.984 5.016 1.00 0.00 C ATOM 1296 CD1 ILE A 77 1.063 -9.244 5.335 1.00 0.00 C ATOM 0 H ILE A 77 4.767 -7.692 4.911 1.00 0.00 H new ATOM 0 HA ILE A 77 2.980 -6.209 3.092 1.00 0.00 H new ATOM 0 HB ILE A 77 2.514 -7.170 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.951 -8.085 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.526 -8.793 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.195 -6.412 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.352 -5.065 5.490 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.649 -5.762 4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.749 -10.158 4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.796 -9.488 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.197 -8.769 5.797 1.00 0.00 H new ATOM 1308 N PHE A 78 3.482 -3.977 4.057 1.00 0.00 N ATOM 1309 CA PHE A 78 3.852 -2.657 4.553 1.00 0.00 C ATOM 1310 C PHE A 78 2.626 -1.752 4.646 1.00 0.00 C ATOM 1311 O PHE A 78 1.661 -1.919 3.899 1.00 0.00 O ATOM 1312 CB PHE A 78 4.913 -2.019 3.653 1.00 0.00 C ATOM 1313 CG PHE A 78 4.568 -2.034 2.191 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.597 -3.216 1.469 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.220 -0.863 1.537 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.286 -3.230 0.122 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.907 -0.870 0.192 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.940 -2.056 -0.516 1.00 0.00 C ATOM 0 H PHE A 78 2.990 -3.970 3.163 1.00 0.00 H new ATOM 0 HA PHE A 78 4.271 -2.777 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.068 -0.987 3.968 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.858 -2.542 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.866 -4.137 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.193 0.067 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.314 -4.158 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.637 0.050 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.695 -2.064 -1.568 1.00 0.00 H new ATOM 1328 N GLN A 79 2.668 -0.801 5.575 1.00 0.00 N ATOM 1329 CA GLN A 79 1.554 0.120 5.775 1.00 0.00 C ATOM 1330 C GLN A 79 1.959 1.558 5.463 1.00 0.00 C ATOM 1331 O GLN A 79 3.086 1.973 5.736 1.00 0.00 O ATOM 1332 CB GLN A 79 1.043 0.022 7.213 1.00 0.00 C ATOM 1333 CG GLN A 79 -0.119 0.953 7.513 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.494 0.964 8.983 1.00 0.00 C ATOM 1335 OE1 GLN A 79 -0.302 1.962 9.677 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -1.032 -0.150 9.464 1.00 0.00 N ATOM 0 H GLN A 79 3.460 -0.648 6.200 1.00 0.00 H new ATOM 0 HA GLN A 79 0.757 -0.163 5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.735 -1.005 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.862 0.246 7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.141 1.964 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.984 0.650 6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.173 -0.954 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.304 -0.202 10.446 1.00 0.00 H new ATOM 1345 N ILE A 80 1.023 2.315 4.894 1.00 0.00 N ATOM 1346 CA ILE A 80 1.265 3.711 4.546 1.00 0.00 C ATOM 1347 C ILE A 80 0.181 4.614 5.132 1.00 0.00 C ATOM 1348 O ILE A 80 -0.980 4.540 4.731 1.00 0.00 O ATOM 1349 CB ILE A 80 1.312 3.909 3.017 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.360 2.984 2.393 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.609 5.362 2.674 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.873 2.270 1.151 1.00 0.00 C ATOM 0 H ILE A 80 0.087 1.982 4.664 1.00 0.00 H new ATOM 0 HA ILE A 80 2.232 3.983 4.969 1.00 0.00 H new ATOM 0 HB ILE A 80 0.336 3.654 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.246 3.568 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.665 2.243 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.638 5.482 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.829 6.001 3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.573 5.646 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.667 1.632 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.005 1.659 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.595 3.004 0.395 1.00 0.00 H new ATOM 1364 N LEU A 81 0.569 5.463 6.078 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.375 6.377 6.712 1.00 0.00 C ATOM 1366 C LEU A 81 -0.458 7.692 5.945 1.00 0.00 C ATOM 1367 O LEU A 81 0.559 8.247 5.530 1.00 0.00 O ATOM 1368 CB LEU A 81 0.036 6.646 8.162 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.866 7.626 8.915 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -2.050 6.897 9.530 1.00 0.00 C ATOM 1371 CD2 LEU A 81 -0.077 8.361 9.987 1.00 0.00 C ATOM 0 H LEU A 81 1.526 5.537 6.422 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.358 5.907 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.050 5.699 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.055 7.033 8.170 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.246 8.359 8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.680 7.610 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.630 6.416 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.689 6.141 10.228 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.735 9.054 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.332 7.641 10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.738 8.916 9.523 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.678 8.185 5.762 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.896 9.436 5.047 1.00 0.00 C ATOM 1385 C TYR A 82 -3.090 10.191 5.622 1.00 0.00 C ATOM 1386 O TYR A 82 -4.027 9.585 6.143 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.121 9.169 3.558 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.046 8.006 3.283 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -4.381 8.051 3.667 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -2.587 6.864 2.642 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -5.231 6.990 3.420 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -3.430 5.798 2.390 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.750 5.866 2.781 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.594 4.808 2.535 1.00 0.00 O ATOM 0 H TYR A 82 -2.530 7.737 6.099 1.00 0.00 H new ATOM 0 HA TYR A 82 -1.004 10.051 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.532 10.066 3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.159 8.977 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.760 8.930 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.553 6.807 2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.266 7.040 3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.057 4.917 1.890 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.508 5.140 2.414 1.00 0.00 H new ATOM 1404 N ALA A 83 -3.049 11.514 5.523 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.128 12.351 6.034 1.00 0.00 C ATOM 1406 C ALA A 83 -5.346 12.297 5.117 1.00 0.00 C ATOM 1407 O ALA A 83 -5.271 12.673 3.947 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.649 13.786 6.192 1.00 0.00 C ATOM 0 H ALA A 83 -2.281 12.030 5.094 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.423 11.966 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.463 14.401 6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.813 13.816 6.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.327 14.171 5.224 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.468 11.829 5.657 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.700 11.729 4.884 1.00 0.00 C ATOM 1416 C ASN A 84 -8.581 12.956 5.108 1.00 0.00 C ATOM 1417 O ASN A 84 -9.133 13.521 4.165 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.460 10.449 5.257 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.245 10.584 6.550 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -10.411 10.982 6.542 1.00 0.00 O ATOM 1421 ND2 ASN A 84 -8.611 10.252 7.666 1.00 0.00 N ATOM 0 H ASN A 84 -6.548 11.514 6.624 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.439 11.685 3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.143 10.189 4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.751 9.626 5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.089 10.321 8.564 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.645 9.927 7.626 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.704 13.362 6.368 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.515 14.520 6.724 1.00 0.00 C ATOM 1430 C GLU A 85 -8.674 15.566 7.447 1.00 0.00 C ATOM 1431 O GLU A 85 -8.806 16.765 7.198 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.689 14.095 7.607 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.809 13.404 6.843 1.00 0.00 C ATOM 1434 CD GLU A 85 -13.112 14.176 6.892 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -13.116 15.362 6.498 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -14.130 13.595 7.325 1.00 0.00 O ATOM 0 H GLU A 85 -8.252 12.905 7.160 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.902 14.960 5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.323 13.424 8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.092 14.975 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.508 13.273 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.966 12.408 7.257 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.807 15.103 8.341 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.952 16.005 9.087 1.00 0.00 C ATOM 1445 C GLY A 86 -5.622 15.375 9.445 1.00 0.00 C ATOM 1446 O GLY A 86 -4.701 15.348 8.629 1.00 0.00 O ATOM 0 H GLY A 86 -7.682 14.115 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.778 16.906 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.462 16.314 9.999 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.520 14.865 10.667 1.00 0.00 N ATOM 1451 CA ILE A 87 -4.292 14.230 11.131 1.00 0.00 C ATOM 1452 C ILE A 87 -4.595 12.952 11.904 1.00 0.00 C ATOM 1453 O ILE A 87 -4.257 11.852 11.465 1.00 0.00 O ATOM 1454 CB ILE A 87 -3.467 15.173 12.030 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.598 16.623 11.560 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -2.007 14.745 12.042 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.746 17.366 12.208 1.00 0.00 C ATOM 0 H ILE A 87 -6.273 14.879 11.355 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.709 13.990 10.242 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.857 15.110 13.046 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.668 17.151 11.772 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.732 16.635 10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.436 15.419 12.680 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.929 13.728 12.426 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.609 14.781 11.028 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.779 18.387 11.828 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.684 16.862 11.975 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.603 17.385 13.288 1.00 0.00 H new ATOM 1469 N SER A 88 -5.231 13.105 13.060 1.00 0.00 N ATOM 1470 CA SER A 88 -5.580 11.964 13.899 1.00 0.00 C ATOM 1471 C SER A 88 -6.455 10.973 13.139 1.00 0.00 C ATOM 1472 O SER A 88 -6.374 9.764 13.356 1.00 0.00 O ATOM 1473 CB SER A 88 -6.303 12.437 15.161 1.00 0.00 C ATOM 1474 OG SER A 88 -6.520 11.363 16.059 1.00 0.00 O ATOM 0 H SER A 88 -5.516 14.009 13.438 1.00 0.00 H new ATOM 0 HA SER A 88 -4.657 11.459 14.183 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.714 13.212 15.652 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.258 12.886 14.889 1.00 0.00 H new ATOM 0 HG SER A 88 -6.982 11.693 16.858 1.00 0.00 H new ATOM 1480 N SER A 89 -7.291 11.492 12.245 1.00 0.00 N ATOM 1481 CA SER A 89 -8.180 10.652 11.451 1.00 0.00 C ATOM 1482 C SER A 89 -7.421 9.959 10.321 1.00 0.00 C ATOM 1483 O SER A 89 -7.890 8.963 9.770 1.00 0.00 O ATOM 1484 CB SER A 89 -9.324 11.488 10.874 1.00 0.00 C ATOM 1485 OG SER A 89 -10.052 12.137 11.901 1.00 0.00 O ATOM 0 H SER A 89 -7.371 12.490 12.053 1.00 0.00 H new ATOM 0 HA SER A 89 -8.591 9.885 12.107 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.923 12.230 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.993 10.847 10.300 1.00 0.00 H new ATOM 0 HG SER A 89 -10.776 12.666 11.505 1.00 0.00 H new ATOM 1491 N ALA A 90 -6.247 10.496 9.981 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.413 9.940 8.915 1.00 0.00 C ATOM 1493 C ALA A 90 -5.427 8.413 8.919 1.00 0.00 C ATOM 1494 O ALA A 90 -5.002 7.780 9.887 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.988 10.454 9.053 1.00 0.00 C ATOM 0 H ALA A 90 -5.851 11.321 10.432 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.828 10.267 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.372 10.037 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.985 11.542 8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.584 10.153 10.020 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.919 7.829 7.831 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.992 6.378 7.705 1.00 0.00 C ATOM 1503 C LYS A 91 -4.691 5.814 7.146 1.00 0.00 C ATOM 1504 O LYS A 91 -3.735 6.552 6.903 1.00 0.00 O ATOM 1505 CB LYS A 91 -7.162 5.982 6.803 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.500 6.532 7.265 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.909 5.951 8.610 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.970 4.871 8.455 1.00 0.00 C ATOM 1509 NZ LYS A 91 -9.556 3.592 9.096 1.00 0.00 N ATOM 0 H LYS A 91 -6.274 8.340 7.022 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.150 5.960 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.964 6.334 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.222 4.895 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.442 7.618 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.264 6.304 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.034 5.533 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.290 6.747 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.905 5.214 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.163 4.701 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.305 2.882 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.677 3.252 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.396 3.749 10.112 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.660 4.500 6.946 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.476 3.835 6.417 1.00 0.00 C ATOM 1525 C ASN A 92 -3.850 2.840 5.322 1.00 0.00 C ATOM 1526 O ASN A 92 -5.023 2.517 5.137 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.716 3.116 7.537 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.635 2.568 8.615 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -3.479 2.881 9.795 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.597 1.745 8.214 1.00 0.00 N ATOM 0 H ASN A 92 -5.442 3.875 7.143 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.830 4.599 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.137 2.298 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.005 3.807 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.243 1.345 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.690 1.513 7.225 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.842 2.359 4.601 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.061 1.400 3.522 1.00 0.00 C ATOM 1539 C LEU A 93 -2.141 0.193 3.675 1.00 0.00 C ATOM 1540 O LEU A 93 -0.918 0.329 3.676 1.00 0.00 O ATOM 1541 CB LEU A 93 -2.822 2.067 2.165 1.00 0.00 C ATOM 1542 CG LEU A 93 -3.972 1.941 1.163 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.064 3.186 0.295 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.793 0.702 0.303 1.00 0.00 C ATOM 0 H LEU A 93 -1.866 2.617 4.744 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.094 1.058 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.619 3.125 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.925 1.636 1.720 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.904 1.843 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.887 3.077 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.240 4.057 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.131 3.317 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.619 0.627 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.853 0.771 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.779 -0.183 0.939 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.735 -0.989 3.802 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.960 -2.215 3.951 1.00 0.00 C ATOM 1558 C LEU A 94 -1.771 -2.890 2.600 1.00 0.00 C ATOM 1559 O LEU A 94 -2.741 -3.209 1.913 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.658 -3.167 4.923 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.553 -2.779 6.401 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -1.167 -3.096 6.939 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.878 -1.303 6.589 1.00 0.00 C ATOM 0 H LEU A 94 -3.746 -1.124 3.805 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.980 -1.959 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.712 -3.228 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.238 -4.165 4.795 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.280 -3.365 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.111 -2.814 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.974 -4.164 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.421 -2.538 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.799 -1.045 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.176 -0.700 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.893 -1.107 6.243 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.516 -3.095 2.215 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.206 -3.719 0.939 1.00 0.00 C ATOM 1577 C LEU A 95 0.702 -4.930 1.115 1.00 0.00 C ATOM 1578 O LEU A 95 1.826 -4.815 1.602 1.00 0.00 O ATOM 1579 CB LEU A 95 0.449 -2.695 0.018 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.392 -1.446 -0.241 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.331 -0.503 -1.184 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.752 -1.831 -0.806 1.00 0.00 C ATOM 0 H LEU A 95 0.301 -2.838 2.769 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.137 -4.070 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.402 -2.392 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.670 -3.173 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.546 -0.930 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.283 0.381 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.281 -0.204 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.515 -1.008 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.340 -0.931 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.617 -2.369 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.274 -2.469 -0.094 1.00 0.00 H new ATOM 1594 N LEU A 96 0.202 -6.091 0.708 1.00 0.00 N ATOM 1595 CA LEU A 96 0.958 -7.333 0.807 1.00 0.00 C ATOM 1596 C LEU A 96 1.718 -7.598 -0.488 1.00 0.00 C ATOM 1597 O LEU A 96 1.118 -7.724 -1.558 1.00 0.00 O ATOM 1598 CB LEU A 96 0.014 -8.499 1.124 1.00 0.00 C ATOM 1599 CG LEU A 96 0.582 -9.899 0.872 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.558 -10.283 1.970 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.544 -10.917 0.778 1.00 0.00 C ATOM 0 H LEU A 96 -0.729 -6.198 0.304 1.00 0.00 H new ATOM 0 HA LEU A 96 1.682 -7.240 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.281 -8.429 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.892 -8.382 0.529 1.00 0.00 H new ATOM 0 HG LEU A 96 1.120 -9.890 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.951 -11.281 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.380 -9.567 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.045 -10.278 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.125 -11.907 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.107 -10.924 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.208 -10.650 -0.044 1.00 0.00 H new ATOM 1613 N ALA A 97 3.039 -7.682 -0.388 1.00 0.00 N ATOM 1614 CA ALA A 97 3.879 -7.932 -1.552 1.00 0.00 C ATOM 1615 C ALA A 97 4.133 -9.424 -1.737 1.00 0.00 C ATOM 1616 O ALA A 97 4.514 -10.120 -0.797 1.00 0.00 O ATOM 1617 CB ALA A 97 5.197 -7.182 -1.421 1.00 0.00 C ATOM 0 H ALA A 97 3.552 -7.581 0.488 1.00 0.00 H new ATOM 0 HA ALA A 97 3.352 -7.569 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.815 -7.377 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.001 -6.112 -1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.720 -7.519 -0.526 1.00 0.00 H new ATOM 1623 N ASN A 98 3.922 -9.908 -2.958 1.00 0.00 N ATOM 1624 CA ASN A 98 4.131 -11.320 -3.270 1.00 0.00 C ATOM 1625 C ASN A 98 5.517 -11.779 -2.818 1.00 0.00 C ATOM 1626 O ASN A 98 5.728 -12.957 -2.533 1.00 0.00 O ATOM 1627 CB ASN A 98 3.967 -11.561 -4.771 1.00 0.00 C ATOM 1628 CG ASN A 98 4.809 -10.616 -5.605 1.00 0.00 C ATOM 1629 OD1 ASN A 98 5.977 -10.888 -5.884 1.00 0.00 O ATOM 1630 ND2 ASN A 98 4.219 -9.495 -6.007 1.00 0.00 N ATOM 0 H ASN A 98 3.607 -9.344 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 98 3.382 -11.900 -2.731 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.243 -12.590 -5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.918 -11.444 -5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.736 -8.820 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.249 -9.310 -5.753 1.00 0.00 H new ATOM 1637 N SER A 99 6.454 -10.838 -2.753 1.00 0.00 N ATOM 1638 CA SER A 99 7.815 -11.145 -2.332 1.00 0.00 C ATOM 1639 C SER A 99 8.324 -10.093 -1.351 1.00 0.00 C ATOM 1640 O SER A 99 7.986 -8.916 -1.457 1.00 0.00 O ATOM 1641 CB SER A 99 8.744 -11.219 -3.546 1.00 0.00 C ATOM 1642 OG SER A 99 8.041 -11.645 -4.701 1.00 0.00 O ATOM 0 H SER A 99 6.295 -9.858 -2.986 1.00 0.00 H new ATOM 0 HA SER A 99 7.807 -12.114 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.189 -10.241 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.563 -11.908 -3.340 1.00 0.00 H new ATOM 0 HG SER A 99 7.467 -10.918 -5.021 1.00 0.00 H new ATOM 1648 N THR A 100 9.139 -10.527 -0.394 1.00 0.00 N ATOM 1649 CA THR A 100 9.695 -9.624 0.608 1.00 0.00 C ATOM 1650 C THR A 100 10.431 -8.462 -0.052 1.00 0.00 C ATOM 1651 O THR A 100 10.283 -7.308 0.351 1.00 0.00 O ATOM 1652 CB THR A 100 10.646 -10.380 1.534 1.00 0.00 C ATOM 1653 OG1 THR A 100 10.261 -11.739 1.644 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.704 -9.806 2.932 1.00 0.00 C ATOM 0 H THR A 100 9.429 -11.499 -0.291 1.00 0.00 H new ATOM 0 HA THR A 100 8.869 -9.222 1.194 1.00 0.00 H new ATOM 0 HB THR A 100 11.631 -10.282 1.078 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.882 -12.208 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.398 -10.390 3.537 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.044 -8.772 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.712 -9.842 3.382 1.00 0.00 H new ATOM 1662 N GLU A 101 11.230 -8.778 -1.067 1.00 0.00 N ATOM 1663 CA GLU A 101 11.997 -7.765 -1.784 1.00 0.00 C ATOM 1664 C GLU A 101 11.092 -6.647 -2.297 1.00 0.00 C ATOM 1665 O GLU A 101 11.454 -5.472 -2.246 1.00 0.00 O ATOM 1666 CB GLU A 101 12.748 -8.404 -2.953 1.00 0.00 C ATOM 1667 CG GLU A 101 13.527 -9.652 -2.569 1.00 0.00 C ATOM 1668 CD GLU A 101 14.503 -10.083 -3.646 1.00 0.00 C ATOM 1669 OE1 GLU A 101 15.594 -9.481 -3.733 1.00 0.00 O ATOM 1670 OE2 GLU A 101 14.176 -11.022 -4.402 1.00 0.00 O ATOM 0 H GLU A 101 11.363 -9.729 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 101 12.714 -7.330 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.034 -8.659 -3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.437 -7.672 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.072 -9.466 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.829 -10.465 -2.370 1.00 0.00 H new ATOM 1677 N GLU A 102 9.916 -7.022 -2.792 1.00 0.00 N ATOM 1678 CA GLU A 102 8.962 -6.048 -3.313 1.00 0.00 C ATOM 1679 C GLU A 102 8.576 -5.033 -2.242 1.00 0.00 C ATOM 1680 O GLU A 102 8.465 -3.838 -2.517 1.00 0.00 O ATOM 1681 CB GLU A 102 7.711 -6.761 -3.836 1.00 0.00 C ATOM 1682 CG GLU A 102 7.274 -6.287 -5.213 1.00 0.00 C ATOM 1683 CD GLU A 102 8.014 -6.990 -6.334 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.393 -8.166 -6.149 1.00 0.00 O ATOM 1685 OE2 GLU A 102 8.214 -6.365 -7.397 1.00 0.00 O ATOM 0 H GLU A 102 9.601 -7.991 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 102 9.438 -5.513 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.903 -7.833 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.894 -6.608 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.203 -6.455 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.438 -5.212 -5.292 1.00 0.00 H new ATOM 1692 N GLN A 103 8.373 -5.516 -1.022 1.00 0.00 N ATOM 1693 CA GLN A 103 8.000 -4.651 0.092 1.00 0.00 C ATOM 1694 C GLN A 103 9.108 -3.647 0.397 1.00 0.00 C ATOM 1695 O GLN A 103 8.840 -2.488 0.708 1.00 0.00 O ATOM 1696 CB GLN A 103 7.692 -5.491 1.335 1.00 0.00 C ATOM 1697 CG GLN A 103 7.486 -4.670 2.599 1.00 0.00 C ATOM 1698 CD GLN A 103 8.658 -4.773 3.557 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.285 -5.824 3.677 1.00 0.00 O ATOM 1700 NE2 GLN A 103 8.957 -3.677 4.244 1.00 0.00 N ATOM 0 H GLN A 103 8.460 -6.503 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 103 7.105 -4.097 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.796 -6.083 1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.510 -6.193 1.499 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.333 -3.625 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.579 -5.005 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.409 -2.827 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.735 -3.685 4.904 1.00 0.00 H new ATOM 1709 N GLN A 104 10.355 -4.100 0.308 1.00 0.00 N ATOM 1710 CA GLN A 104 11.500 -3.235 0.579 1.00 0.00 C ATOM 1711 C GLN A 104 11.600 -2.131 -0.468 1.00 0.00 C ATOM 1712 O GLN A 104 11.932 -0.988 -0.153 1.00 0.00 O ATOM 1713 CB GLN A 104 12.807 -4.038 0.605 1.00 0.00 C ATOM 1714 CG GLN A 104 12.650 -5.483 1.058 1.00 0.00 C ATOM 1715 CD GLN A 104 11.799 -5.625 2.304 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.485 -4.640 2.973 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.419 -6.857 2.622 1.00 0.00 N ATOM 0 H GLN A 104 10.598 -5.057 0.052 1.00 0.00 H new ATOM 0 HA GLN A 104 11.347 -2.786 1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.244 -4.029 -0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.513 -3.537 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 104 12.203 -6.064 0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.636 -5.907 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.702 -7.645 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.844 -7.016 3.449 1.00 0.00 H new ATOM 1726 N LYS A 105 11.318 -2.484 -1.717 1.00 0.00 N ATOM 1727 CA LYS A 105 11.381 -1.530 -2.817 1.00 0.00 C ATOM 1728 C LYS A 105 10.214 -0.548 -2.767 1.00 0.00 C ATOM 1729 O LYS A 105 10.413 0.666 -2.820 1.00 0.00 O ATOM 1730 CB LYS A 105 11.382 -2.268 -4.158 1.00 0.00 C ATOM 1731 CG LYS A 105 11.369 -1.343 -5.366 1.00 0.00 C ATOM 1732 CD LYS A 105 11.410 -2.125 -6.670 1.00 0.00 C ATOM 1733 CE LYS A 105 10.164 -1.878 -7.509 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.078 -2.812 -8.665 1.00 0.00 N ATOM 0 H LYS A 105 11.043 -3.427 -1.993 1.00 0.00 H new ATOM 0 HA LYS A 105 12.307 -0.964 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.264 -2.907 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.511 -2.922 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.473 -0.723 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.224 -0.669 -5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.295 -1.840 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.499 -3.190 -6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.278 -1.991 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.169 -0.850 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.216 -2.611 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.911 -2.687 -9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.047 -3.792 -8.318 1.00 0.00 H new ATOM 1748 N TRP A 106 8.997 -1.076 -2.674 1.00 0.00 N ATOM 1749 CA TRP A 106 7.804 -0.238 -2.632 1.00 0.00 C ATOM 1750 C TRP A 106 7.875 0.785 -1.502 1.00 0.00 C ATOM 1751 O TRP A 106 7.660 1.978 -1.713 1.00 0.00 O ATOM 1752 CB TRP A 106 6.553 -1.095 -2.475 1.00 0.00 C ATOM 1753 CG TRP A 106 5.876 -1.358 -3.782 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.156 -2.366 -4.648 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.824 -0.594 -4.379 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.330 -2.293 -5.744 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.505 -1.209 -5.602 1.00 0.00 C ATOM 1758 CE3 TRP A 106 4.117 0.547 -3.995 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.512 -0.722 -6.446 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 3.129 1.031 -4.838 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.837 0.397 -6.048 1.00 0.00 C ATOM 0 H TRP A 106 8.812 -2.078 -2.626 1.00 0.00 H new ATOM 0 HA TRP A 106 7.753 0.303 -3.577 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.822 -2.044 -2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.856 -0.596 -1.802 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.918 -3.117 -4.497 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.331 -2.939 -6.533 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.335 1.042 -3.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.283 -1.211 -7.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.575 1.914 -4.554 1.00 0.00 H new ATOM 0 HH2 TRP A 106 2.061 0.800 -6.682 1.00 0.00 H new ATOM 1772 N VAL A 107 8.171 0.306 -0.299 1.00 0.00 N ATOM 1773 CA VAL A 107 8.260 1.170 0.872 1.00 0.00 C ATOM 1774 C VAL A 107 9.368 2.211 0.730 1.00 0.00 C ATOM 1775 O VAL A 107 9.127 3.407 0.891 1.00 0.00 O ATOM 1776 CB VAL A 107 8.506 0.347 2.152 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.500 1.247 3.380 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.465 -0.754 2.284 1.00 0.00 C ATOM 0 H VAL A 107 8.354 -0.679 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 107 7.303 1.686 0.948 1.00 0.00 H new ATOM 0 HB VAL A 107 9.489 -0.118 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.675 0.646 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.287 1.996 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.534 1.745 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.653 -1.326 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.471 -0.310 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.524 -1.416 1.420 1.00 0.00 H new ATOM 1788 N SER A 108 10.579 1.748 0.447 1.00 0.00 N ATOM 1789 CA SER A 108 11.725 2.641 0.305 1.00 0.00 C ATOM 1790 C SER A 108 11.542 3.622 -0.851 1.00 0.00 C ATOM 1791 O SER A 108 11.949 4.780 -0.760 1.00 0.00 O ATOM 1792 CB SER A 108 13.004 1.830 0.100 1.00 0.00 C ATOM 1793 OG SER A 108 14.135 2.676 -0.003 1.00 0.00 O ATOM 0 H SER A 108 10.794 0.760 0.311 1.00 0.00 H new ATOM 0 HA SER A 108 11.804 3.220 1.225 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.138 1.140 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.914 1.226 -0.803 1.00 0.00 H new ATOM 0 HG SER A 108 14.940 2.132 -0.132 1.00 0.00 H new ATOM 1799 N ARG A 109 10.942 3.157 -1.939 1.00 0.00 N ATOM 1800 CA ARG A 109 10.726 4.006 -3.107 1.00 0.00 C ATOM 1801 C ARG A 109 9.585 4.991 -2.872 1.00 0.00 C ATOM 1802 O ARG A 109 9.752 6.200 -3.039 1.00 0.00 O ATOM 1803 CB ARG A 109 10.435 3.148 -4.339 1.00 0.00 C ATOM 1804 CG ARG A 109 11.678 2.515 -4.945 1.00 0.00 C ATOM 1805 CD ARG A 109 12.151 3.276 -6.175 1.00 0.00 C ATOM 1806 NE ARG A 109 13.274 4.159 -5.873 1.00 0.00 N ATOM 1807 CZ ARG A 109 13.142 5.399 -5.406 1.00 0.00 C ATOM 1808 NH1 ARG A 109 11.937 5.909 -5.179 1.00 0.00 N ATOM 1809 NH2 ARG A 109 14.219 6.134 -5.164 1.00 0.00 N ATOM 0 H ARG A 109 10.597 2.202 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 109 11.637 4.579 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.732 2.361 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.946 3.764 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.475 2.492 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.465 1.481 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 109 12.445 2.567 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.326 3.863 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 109 14.217 3.804 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 109 11.104 5.350 -5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.845 6.860 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 109 15.148 5.749 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 109 14.118 7.084 -4.806 1.00 0.00 H new ATOM 1823 N LEU A 110 8.425 4.469 -2.489 1.00 0.00 N ATOM 1824 CA LEU A 110 7.258 5.305 -2.239 1.00 0.00 C ATOM 1825 C LEU A 110 7.529 6.312 -1.125 1.00 0.00 C ATOM 1826 O LEU A 110 7.081 7.458 -1.190 1.00 0.00 O ATOM 1827 CB LEU A 110 6.045 4.438 -1.887 1.00 0.00 C ATOM 1828 CG LEU A 110 6.052 3.842 -0.478 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.503 4.843 0.530 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.247 2.552 -0.446 1.00 0.00 C ATOM 0 H LEU A 110 8.268 3.471 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 110 7.042 5.860 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.143 5.039 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.981 3.623 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 110 7.082 3.613 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.516 4.401 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.120 5.741 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.479 5.104 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.261 2.139 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.218 2.758 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.685 1.833 -1.138 1.00 0.00 H new ATOM 1842 N VAL A 111 8.265 5.883 -0.104 1.00 0.00 N ATOM 1843 CA VAL A 111 8.592 6.758 1.016 1.00 0.00 C ATOM 1844 C VAL A 111 9.604 7.819 0.596 1.00 0.00 C ATOM 1845 O VAL A 111 9.475 8.991 0.949 1.00 0.00 O ATOM 1846 CB VAL A 111 9.145 5.961 2.217 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.565 5.478 1.949 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.090 6.800 3.485 1.00 0.00 C ATOM 0 H VAL A 111 8.645 4.939 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 111 7.667 7.246 1.324 1.00 0.00 H new ATOM 0 HB VAL A 111 8.516 5.082 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.928 4.920 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.570 4.832 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.214 6.336 1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.484 6.222 4.321 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.690 7.700 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.057 7.080 3.692 1.00 0.00 H new ATOM 1858 N LYS A 112 10.608 7.397 -0.167 1.00 0.00 N ATOM 1859 CA LYS A 112 11.640 8.309 -0.644 1.00 0.00 C ATOM 1860 C LYS A 112 11.023 9.420 -1.488 1.00 0.00 C ATOM 1861 O LYS A 112 11.533 10.539 -1.529 1.00 0.00 O ATOM 1862 CB LYS A 112 12.685 7.550 -1.465 1.00 0.00 C ATOM 1863 CG LYS A 112 13.866 7.061 -0.642 1.00 0.00 C ATOM 1864 CD LYS A 112 15.059 6.723 -1.526 1.00 0.00 C ATOM 1865 CE LYS A 112 15.624 5.350 -1.199 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.902 5.090 -1.919 1.00 0.00 N ATOM 0 H LYS A 112 10.728 6.430 -0.468 1.00 0.00 H new ATOM 0 HA LYS A 112 12.128 8.756 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.208 6.695 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.051 8.199 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.151 7.827 0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.573 6.180 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.757 6.753 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.835 7.477 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.790 5.272 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.895 4.585 -1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.255 4.144 -1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.739 5.139 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.606 5.805 -1.646 1.00 0.00 H new ATOM 1880 N LYS A 113 9.920 9.100 -2.158 1.00 0.00 N ATOM 1881 CA LYS A 113 9.229 10.070 -2.999 1.00 0.00 C ATOM 1882 C LYS A 113 8.573 11.158 -2.153 1.00 0.00 C ATOM 1883 O LYS A 113 8.314 12.260 -2.637 1.00 0.00 O ATOM 1884 CB LYS A 113 8.174 9.371 -3.859 1.00 0.00 C ATOM 1885 CG LYS A 113 8.761 8.552 -4.996 1.00 0.00 C ATOM 1886 CD LYS A 113 7.674 7.860 -5.804 1.00 0.00 C ATOM 1887 CE LYS A 113 7.342 8.631 -7.073 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.522 7.796 -8.292 1.00 0.00 N ATOM 0 H LYS A 113 9.486 8.177 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 113 9.967 10.538 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.574 8.719 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.500 10.121 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.344 9.201 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.446 7.806 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.999 6.853 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.776 7.758 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.312 8.985 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.979 9.513 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 7.790 8.404 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.271 7.094 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 6.631 7.306 -8.512 1.00 0.00 H new ATOM 1902 N ILE A 114 8.307 10.844 -0.889 1.00 0.00 N ATOM 1903 CA ILE A 114 7.682 11.798 0.020 1.00 0.00 C ATOM 1904 C ILE A 114 8.600 12.992 0.280 1.00 0.00 C ATOM 1905 O ILE A 114 9.799 12.824 0.503 1.00 0.00 O ATOM 1906 CB ILE A 114 7.320 11.140 1.366 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.519 9.858 1.136 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.535 12.110 2.238 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.132 9.149 2.415 1.00 0.00 C ATOM 0 H ILE A 114 8.514 9.937 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 114 6.768 12.143 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 114 8.244 10.881 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.615 10.099 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.105 9.179 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.287 11.630 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.138 12.998 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.617 12.398 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.566 8.249 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.032 8.876 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.519 9.811 3.027 1.00 0.00 H new ATOM 1921 N PRO A 115 8.048 14.219 0.257 1.00 0.00 N ATOM 1922 CA PRO A 115 8.827 15.436 0.492 1.00 0.00 C ATOM 1923 C PRO A 115 9.150 15.641 1.968 1.00 0.00 C ATOM 1924 O PRO A 115 10.274 15.991 2.325 1.00 0.00 O ATOM 1925 CB PRO A 115 7.901 16.543 -0.011 1.00 0.00 C ATOM 1926 CG PRO A 115 6.529 16.005 0.198 1.00 0.00 C ATOM 1927 CD PRO A 115 6.625 14.515 -0.002 1.00 0.00 C ATOM 0 HA PRO A 115 9.795 15.407 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.053 17.469 0.543 1.00 0.00 H new ATOM 0 HB3 PRO A 115 8.084 16.766 -1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 115 6.167 16.241 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.826 16.448 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.972 13.976 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.333 14.227 -1.012 1.00 0.00 H new ATOM 1935 N LYS A 116 8.155 15.420 2.822 1.00 0.00 N ATOM 1936 CA LYS A 116 8.332 15.580 4.260 1.00 0.00 C ATOM 1937 C LYS A 116 8.598 14.235 4.929 1.00 0.00 C ATOM 1938 O LYS A 116 8.125 13.977 6.036 1.00 0.00 O ATOM 1939 CB LYS A 116 7.093 16.235 4.876 1.00 0.00 C ATOM 1940 CG LYS A 116 6.887 17.676 4.440 1.00 0.00 C ATOM 1941 CD LYS A 116 7.481 18.655 5.441 1.00 0.00 C ATOM 1942 CE LYS A 116 8.480 19.593 4.782 1.00 0.00 C ATOM 1943 NZ LYS A 116 8.366 20.983 5.305 1.00 0.00 N ATOM 0 H LYS A 116 7.218 15.130 2.542 1.00 0.00 H new ATOM 0 HA LYS A 116 9.196 16.224 4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.212 15.653 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.176 16.201 5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.346 17.830 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.821 17.873 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.682 19.238 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.973 18.103 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 116 9.491 19.223 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.318 19.596 3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.064 21.591 4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.409 21.346 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 8.546 20.984 6.329 1.00 0.00 H new ATOM 1957 N LYS A 117 9.357 13.382 4.249 1.00 0.00 N ATOM 1958 CA LYS A 117 9.687 12.065 4.779 1.00 0.00 C ATOM 1959 C LYS A 117 10.439 12.180 6.100 1.00 0.00 C ATOM 1960 O LYS A 117 10.830 11.129 6.652 1.00 0.00 O ATOM 1961 CB LYS A 117 10.526 11.283 3.766 1.00 0.00 C ATOM 1962 CG LYS A 117 10.473 9.776 3.968 1.00 0.00 C ATOM 1963 CD LYS A 117 11.778 9.243 4.541 1.00 0.00 C ATOM 1964 CE LYS A 117 12.723 8.787 3.441 1.00 0.00 C ATOM 1965 NZ LYS A 117 13.367 9.940 2.751 1.00 0.00 N ATOM 1966 OXT LYS A 117 10.634 13.320 6.572 1.00 0.00 O ATOM 0 H LYS A 117 9.755 13.579 3.331 1.00 0.00 H new ATOM 0 HA LYS A 117 8.755 11.530 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.179 11.519 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.562 11.614 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 117 9.651 9.527 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 117 10.266 9.287 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 117 12.259 10.019 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.569 8.409 5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.492 8.143 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 117 12.173 8.189 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.054 9.588 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.640 10.504 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.857 10.534 3.451 1.00 0.00 H new TER 1980 LYS A 117