USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 768 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 4 GLN : amide:sc= -0.0487 K(o=-3.8,f=-7.5!) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.871 K(o=-3.8,f=-11!) USER MOD Set 1.3: A 61 SER OG : rot 32:sc= -1.52! USER MOD Set 1.4: A 94 GLN :FLIP amide:sc= -1.32 F(o=-4.9!,f=-3.8) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 144:sc= -0.0447 (180deg=-0.243) USER MOD Set 2.2: A 52 CYS SG : rot 80:sc= -3.3! USER MOD Set 2.3: A 59 MET CE :methyl 161:sc= -0.656 (180deg=-1.37) USER MOD Set 3.1: A 29 GLN :FLIP amide:sc= -0.177 F(o=-1.2,f=-0.37) USER MOD Set 3.2: A 92 GLN : amide:sc= -0.196 K(o=-0.37,f=-2.8) USER MOD Set 4.1: A 21 TYR OH : rot 165:sc= 0.972 USER MOD Set 4.2: A 37 LYS NZ :NH3+ 136:sc= 2.2 (180deg=1.17) USER MOD Set 5.1: A 9 SER OG : rot 150:sc= 1.03 USER MOD Set 5.2: A 10 THR OG1 : rot -150:sc= -0.298 USER MOD Set 5.3: A 45 LYS NZ :NH3+ -169:sc= 2.22 (180deg=0.578) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.131 (180deg=-0.625) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0481 (180deg=0) USER MOD Single : A 2 SER OG : rot -29:sc= 0.0188 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.38 (180deg=-1.85!) USER MOD Single : A 17 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 25 LYS NZ :NH3+ -162:sc= 1.2 (180deg=1.05) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.88 X(o=-0.88,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.553 (180deg=0.0218) USER MOD Single : A 40 MET CE :methyl -172:sc= -1.9 (180deg=-2.34) USER MOD Single : A 41 THR OG1 : rot -44:sc= 0.861 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc=-0.00858 F(o=-0.97,f=-0.0086) USER MOD Single : A 46 LYS NZ :NH3+ -131:sc= 1.09 (180deg=-0.767) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 25:sc= -2.11 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.691 F(o=-3.2!,f=-0.69) USER MOD Single : A 69 GLN : amide:sc= -2.46! C(o=-2.5!,f=-2.3!) USER MOD Single : A 74 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-3.8!) USER MOD Single : A 76 THR OG1 : rot -120:sc= -0.623 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 160:sc= -1.19 (180deg=-2.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.396 -18.721 -8.137 1.00 0.00 N ATOM 2 CA MET A 1 10.991 -19.316 -6.847 1.00 0.00 C ATOM 3 C MET A 1 12.212 -19.538 -5.943 1.00 0.00 C ATOM 4 O MET A 1 13.327 -19.709 -6.432 1.00 0.00 O ATOM 5 CB MET A 1 10.268 -20.653 -7.090 1.00 0.00 C ATOM 6 CG MET A 1 9.757 -21.329 -5.822 1.00 0.00 C ATOM 7 SD MET A 1 8.920 -22.898 -6.149 1.00 0.00 S ATOM 8 CE MET A 1 10.250 -23.855 -6.881 1.00 0.00 C ATOM 0 H1 MET A 1 11.107 -17.722 -8.165 1.00 0.00 H new ATOM 0 H2 MET A 1 12.429 -18.785 -8.240 1.00 0.00 H new ATOM 0 H3 MET A 1 10.938 -19.236 -8.916 1.00 0.00 H new ATOM 0 HA MET A 1 10.312 -18.625 -6.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.426 -20.481 -7.761 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.949 -21.333 -7.601 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.595 -21.504 -5.147 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.069 -20.656 -5.310 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.015 -24.917 -6.811 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.364 -23.577 -7.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.179 -23.653 -6.348 1.00 0.00 H new ATOM 18 N SER A 2 11.989 -19.499 -4.617 1.00 0.00 N ATOM 19 CA SER A 2 13.024 -19.776 -3.601 1.00 0.00 C ATOM 20 C SER A 2 14.033 -18.618 -3.405 1.00 0.00 C ATOM 21 O SER A 2 14.718 -18.556 -2.384 1.00 0.00 O ATOM 22 CB SER A 2 13.758 -21.093 -3.918 1.00 0.00 C ATOM 23 OG SER A 2 14.703 -21.427 -2.914 1.00 0.00 O ATOM 0 H SER A 2 11.079 -19.273 -4.216 1.00 0.00 H new ATOM 0 HA SER A 2 12.496 -19.876 -2.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.031 -21.899 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.265 -21.004 -4.879 1.00 0.00 H new ATOM 0 HG SER A 2 15.036 -20.607 -2.493 1.00 0.00 H new ATOM 29 N ASP A 3 14.125 -17.702 -4.355 1.00 0.00 N ATOM 30 CA ASP A 3 15.097 -16.606 -4.242 1.00 0.00 C ATOM 31 C ASP A 3 14.407 -15.250 -4.098 1.00 0.00 C ATOM 32 O ASP A 3 15.050 -14.229 -3.836 1.00 0.00 O ATOM 33 CB ASP A 3 16.064 -16.618 -5.452 1.00 0.00 C ATOM 34 CG ASP A 3 17.063 -15.472 -5.458 1.00 0.00 C ATOM 35 OD1 ASP A 3 18.080 -15.552 -4.742 1.00 0.00 O ATOM 36 OD2 ASP A 3 16.844 -14.489 -6.200 1.00 0.00 O ATOM 0 H ASP A 3 13.555 -17.686 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 3 15.678 -16.765 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.609 -17.562 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.479 -16.581 -6.371 1.00 0.00 H new ATOM 41 N GLN A 4 13.091 -15.233 -4.229 1.00 0.00 N ATOM 42 CA GLN A 4 12.344 -13.984 -4.145 1.00 0.00 C ATOM 43 C GLN A 4 12.103 -13.573 -2.701 1.00 0.00 C ATOM 44 O GLN A 4 11.358 -14.222 -1.967 1.00 0.00 O ATOM 45 CB GLN A 4 11.012 -14.101 -4.871 1.00 0.00 C ATOM 46 CG GLN A 4 11.150 -14.512 -6.316 1.00 0.00 C ATOM 47 CD GLN A 4 9.815 -14.709 -6.989 1.00 0.00 C ATOM 48 OE1 GLN A 4 9.276 -13.797 -7.606 1.00 0.00 O ATOM 49 NE2 GLN A 4 9.262 -15.886 -6.837 1.00 0.00 N ATOM 0 H GLN A 4 12.519 -16.062 -4.393 1.00 0.00 H new ATOM 0 HA GLN A 4 12.949 -13.215 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 4 10.387 -14.828 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.495 -13.143 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.716 -13.752 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 4 11.723 -15.437 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.749 -16.615 -6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.344 -16.074 -7.241 1.00 0.00 H new ATOM 58 N GLU A 5 12.733 -12.499 -2.295 1.00 0.00 N ATOM 59 CA GLU A 5 12.564 -11.967 -0.955 1.00 0.00 C ATOM 60 C GLU A 5 12.598 -10.451 -0.997 1.00 0.00 C ATOM 61 O GLU A 5 12.570 -9.855 -2.077 1.00 0.00 O ATOM 62 CB GLU A 5 13.624 -12.523 0.003 1.00 0.00 C ATOM 63 CG GLU A 5 15.056 -12.249 -0.405 1.00 0.00 C ATOM 64 CD GLU A 5 16.035 -12.750 0.628 1.00 0.00 C ATOM 65 OE1 GLU A 5 16.430 -13.929 0.560 1.00 0.00 O ATOM 66 OE2 GLU A 5 16.409 -11.969 1.526 1.00 0.00 O ATOM 0 H GLU A 5 13.378 -11.966 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 5 11.593 -12.283 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.456 -12.100 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.486 -13.601 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.260 -12.728 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.195 -11.178 -0.549 1.00 0.00 H new ATOM 73 N ALA A 6 12.660 -9.816 0.150 1.00 0.00 N ATOM 74 CA ALA A 6 12.651 -8.371 0.198 1.00 0.00 C ATOM 75 C ALA A 6 13.653 -7.854 1.210 1.00 0.00 C ATOM 76 O ALA A 6 14.298 -8.631 1.919 1.00 0.00 O ATOM 77 CB ALA A 6 11.252 -7.863 0.529 1.00 0.00 C ATOM 0 H ALA A 6 12.717 -10.274 1.060 1.00 0.00 H new ATOM 0 HA ALA A 6 12.939 -7.996 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.259 -6.774 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.553 -8.198 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.943 -8.254 1.499 1.00 0.00 H new ATOM 83 N LYS A 7 13.799 -6.545 1.264 1.00 0.00 N ATOM 84 CA LYS A 7 14.686 -5.897 2.205 1.00 0.00 C ATOM 85 C LYS A 7 14.271 -4.446 2.389 1.00 0.00 C ATOM 86 O LYS A 7 13.686 -3.846 1.479 1.00 0.00 O ATOM 87 CB LYS A 7 16.169 -6.018 1.759 1.00 0.00 C ATOM 88 CG LYS A 7 16.477 -5.551 0.335 1.00 0.00 C ATOM 89 CD LYS A 7 16.603 -4.037 0.237 1.00 0.00 C ATOM 90 CE LYS A 7 17.078 -3.614 -1.139 1.00 0.00 C ATOM 91 NZ LYS A 7 17.133 -2.136 -1.283 1.00 0.00 N ATOM 0 H LYS A 7 13.302 -5.898 0.652 1.00 0.00 H new ATOM 0 HA LYS A 7 14.605 -6.402 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.785 -5.443 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.473 -7.061 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.404 -6.013 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.688 -5.892 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.639 -3.575 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.302 -3.678 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.067 -4.033 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.410 -4.027 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.463 -1.892 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.185 -1.737 -1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.790 -1.743 -0.579 1.00 0.00 H new ATOM 105 N PRO A 8 14.539 -3.871 3.567 1.00 0.00 N ATOM 106 CA PRO A 8 14.191 -2.482 3.857 1.00 0.00 C ATOM 107 C PRO A 8 14.947 -1.508 2.959 1.00 0.00 C ATOM 108 O PRO A 8 16.108 -1.737 2.602 1.00 0.00 O ATOM 109 CB PRO A 8 14.611 -2.298 5.324 1.00 0.00 C ATOM 110 CG PRO A 8 15.609 -3.376 5.574 1.00 0.00 C ATOM 111 CD PRO A 8 15.199 -4.528 4.707 1.00 0.00 C ATOM 0 HA PRO A 8 13.134 -2.280 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.044 -1.312 5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.756 -2.388 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.616 -3.040 5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.618 -3.663 6.626 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.058 -5.119 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.522 -5.204 5.229 1.00 0.00 H new ATOM 119 N SER A 9 14.301 -0.428 2.595 1.00 0.00 N ATOM 120 CA SER A 9 14.908 0.572 1.742 1.00 0.00 C ATOM 121 C SER A 9 14.806 1.954 2.380 1.00 0.00 C ATOM 122 O SER A 9 15.415 2.921 1.917 1.00 0.00 O ATOM 123 CB SER A 9 14.240 0.563 0.365 1.00 0.00 C ATOM 124 OG SER A 9 12.824 0.620 0.487 1.00 0.00 O ATOM 0 H SER A 9 13.345 -0.215 2.878 1.00 0.00 H new ATOM 0 HA SER A 9 15.964 0.332 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.593 1.412 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.526 -0.339 -0.177 1.00 0.00 H new ATOM 0 HG SER A 9 12.447 1.079 -0.292 1.00 0.00 H new ATOM 130 N THR A 10 14.012 2.050 3.434 1.00 0.00 N ATOM 131 CA THR A 10 13.828 3.291 4.152 1.00 0.00 C ATOM 132 C THR A 10 13.426 2.988 5.589 1.00 0.00 C ATOM 133 O THR A 10 12.533 2.170 5.830 1.00 0.00 O ATOM 134 CB THR A 10 12.723 4.155 3.496 1.00 0.00 C ATOM 135 OG1 THR A 10 12.948 4.240 2.082 1.00 0.00 O ATOM 136 CG2 THR A 10 12.706 5.558 4.086 1.00 0.00 C ATOM 0 H THR A 10 13.479 1.267 3.812 1.00 0.00 H new ATOM 0 HA THR A 10 14.768 3.843 4.126 1.00 0.00 H new ATOM 0 HB THR A 10 11.761 3.681 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.604 5.094 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.921 6.144 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.514 5.500 5.157 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.671 6.036 3.916 1.00 0.00 H new ATOM 144 N GLU A 11 14.092 3.615 6.541 1.00 0.00 N ATOM 145 CA GLU A 11 13.757 3.430 7.937 1.00 0.00 C ATOM 146 C GLU A 11 12.415 4.080 8.232 1.00 0.00 C ATOM 147 O GLU A 11 12.195 5.260 7.929 1.00 0.00 O ATOM 148 CB GLU A 11 14.841 4.024 8.839 1.00 0.00 C ATOM 149 CG GLU A 11 14.542 3.889 10.325 1.00 0.00 C ATOM 150 CD GLU A 11 15.603 4.524 11.191 1.00 0.00 C ATOM 151 OE1 GLU A 11 15.517 5.741 11.449 1.00 0.00 O ATOM 152 OE2 GLU A 11 16.531 3.811 11.617 1.00 0.00 O ATOM 0 H GLU A 11 14.867 4.256 6.371 1.00 0.00 H new ATOM 0 HA GLU A 11 13.692 2.361 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.790 3.534 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.965 5.080 8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.578 4.350 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.455 2.833 10.580 1.00 0.00 H new ATOM 159 N ASP A 12 11.511 3.322 8.808 1.00 0.00 N ATOM 160 CA ASP A 12 10.199 3.829 9.125 1.00 0.00 C ATOM 161 C ASP A 12 9.720 3.232 10.415 1.00 0.00 C ATOM 162 O ASP A 12 9.070 2.187 10.436 1.00 0.00 O ATOM 163 CB ASP A 12 9.207 3.531 8.006 1.00 0.00 C ATOM 164 CG ASP A 12 7.901 4.280 8.177 1.00 0.00 C ATOM 165 OD1 ASP A 12 7.857 5.493 7.869 1.00 0.00 O ATOM 166 OD2 ASP A 12 6.914 3.669 8.613 1.00 0.00 O ATOM 0 H ASP A 12 11.663 2.347 9.067 1.00 0.00 H new ATOM 0 HA ASP A 12 10.268 4.912 9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.653 3.798 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.007 2.460 7.977 1.00 0.00 H new ATOM 171 N LEU A 13 10.086 3.863 11.498 1.00 0.00 N ATOM 172 CA LEU A 13 9.700 3.414 12.799 1.00 0.00 C ATOM 173 C LEU A 13 8.228 3.661 13.041 1.00 0.00 C ATOM 174 O LEU A 13 7.611 4.531 12.409 1.00 0.00 O ATOM 175 CB LEU A 13 10.578 4.061 13.886 1.00 0.00 C ATOM 176 CG LEU A 13 10.958 5.542 13.689 1.00 0.00 C ATOM 177 CD1 LEU A 13 9.749 6.455 13.827 1.00 0.00 C ATOM 178 CD2 LEU A 13 12.037 5.934 14.679 1.00 0.00 C ATOM 0 H LEU A 13 10.662 4.705 11.498 1.00 0.00 H new ATOM 0 HA LEU A 13 9.860 2.337 12.852 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.059 3.968 14.840 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.499 3.483 13.966 1.00 0.00 H new ATOM 0 HG LEU A 13 11.341 5.661 12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.057 7.491 13.682 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.005 6.189 13.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.318 6.341 14.822 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.301 6.982 14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.669 5.790 15.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.919 5.313 14.521 1.00 0.00 H new ATOM 190 N GLY A 14 7.657 2.901 13.929 1.00 0.00 N ATOM 191 CA GLY A 14 6.261 3.040 14.213 1.00 0.00 C ATOM 192 C GLY A 14 5.879 2.415 15.532 1.00 0.00 C ATOM 193 O GLY A 14 5.170 1.405 15.573 1.00 0.00 O ATOM 0 H GLY A 14 8.136 2.180 14.468 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.999 4.098 14.226 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.682 2.578 13.413 1.00 0.00 H new ATOM 197 N ASP A 15 6.347 3.009 16.614 1.00 0.00 N ATOM 198 CA ASP A 15 6.060 2.520 17.961 1.00 0.00 C ATOM 199 C ASP A 15 5.715 3.679 18.858 1.00 0.00 C ATOM 200 O ASP A 15 6.008 3.685 20.057 1.00 0.00 O ATOM 201 CB ASP A 15 7.247 1.736 18.543 1.00 0.00 C ATOM 202 CG ASP A 15 7.424 0.368 17.917 1.00 0.00 C ATOM 203 OD1 ASP A 15 6.571 -0.514 18.149 1.00 0.00 O ATOM 204 OD2 ASP A 15 8.429 0.157 17.205 1.00 0.00 O ATOM 0 H ASP A 15 6.935 3.842 16.590 1.00 0.00 H new ATOM 0 HA ASP A 15 5.212 1.838 17.900 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.160 2.314 18.401 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.106 1.621 19.618 1.00 0.00 H new ATOM 209 N LYS A 16 5.079 4.667 18.277 1.00 0.00 N ATOM 210 CA LYS A 16 4.707 5.871 18.987 1.00 0.00 C ATOM 211 C LYS A 16 3.253 6.186 18.728 1.00 0.00 C ATOM 212 O LYS A 16 2.528 5.385 18.130 1.00 0.00 O ATOM 213 CB LYS A 16 5.572 7.028 18.498 1.00 0.00 C ATOM 214 CG LYS A 16 7.057 6.811 18.712 1.00 0.00 C ATOM 215 CD LYS A 16 7.898 7.653 17.767 1.00 0.00 C ATOM 216 CE LYS A 16 8.079 9.095 18.256 1.00 0.00 C ATOM 217 NZ LYS A 16 6.809 9.869 18.279 1.00 0.00 N ATOM 0 H LYS A 16 4.803 4.661 17.295 1.00 0.00 H new ATOM 0 HA LYS A 16 4.858 5.724 20.057 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.386 7.185 17.436 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.269 7.940 19.013 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.314 7.056 19.742 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.294 5.757 18.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.877 7.189 17.648 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.429 7.664 16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.507 9.081 19.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.795 9.604 17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.009 10.870 18.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.161 9.494 17.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.368 9.785 19.217 1.00 0.00 H new ATOM 231 N LYS A 17 2.812 7.338 19.183 1.00 0.00 N ATOM 232 CA LYS A 17 1.471 7.791 18.898 1.00 0.00 C ATOM 233 C LYS A 17 1.449 8.408 17.503 1.00 0.00 C ATOM 234 O LYS A 17 2.481 8.448 16.823 1.00 0.00 O ATOM 235 CB LYS A 17 1.008 8.799 19.945 1.00 0.00 C ATOM 236 CG LYS A 17 1.882 10.034 20.037 1.00 0.00 C ATOM 237 CD LYS A 17 1.402 10.969 21.133 1.00 0.00 C ATOM 238 CE LYS A 17 0.013 11.509 20.835 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.520 12.302 21.963 1.00 0.00 N ATOM 0 H LYS A 17 3.365 7.978 19.753 1.00 0.00 H new ATOM 0 HA LYS A 17 0.784 6.946 18.932 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.013 9.104 19.715 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.982 8.311 20.919 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.913 9.739 20.233 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.877 10.558 19.081 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.391 10.439 22.086 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.101 11.798 21.237 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.048 12.129 19.939 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.662 10.680 20.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.469 12.653 21.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.577 11.704 22.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.111 13.108 22.150 1.00 0.00 H new ATOM 253 N GLU A 18 0.309 8.922 17.079 1.00 0.00 N ATOM 254 CA GLU A 18 0.191 9.440 15.725 1.00 0.00 C ATOM 255 C GLU A 18 -1.096 10.216 15.524 1.00 0.00 C ATOM 256 O GLU A 18 -2.039 10.105 16.312 1.00 0.00 O ATOM 257 CB GLU A 18 0.270 8.292 14.726 1.00 0.00 C ATOM 258 CG GLU A 18 -0.608 7.115 15.097 1.00 0.00 C ATOM 259 CD GLU A 18 -0.461 5.964 14.149 1.00 0.00 C ATOM 260 OE1 GLU A 18 0.535 5.215 14.260 1.00 0.00 O ATOM 261 OE2 GLU A 18 -1.342 5.783 13.296 1.00 0.00 O ATOM 0 H GLU A 18 -0.539 8.993 17.642 1.00 0.00 H new ATOM 0 HA GLU A 18 1.018 10.131 15.560 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.020 8.656 13.740 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.304 7.956 14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.359 6.784 16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.650 7.435 15.115 1.00 0.00 H new ATOM 268 N GLY A 19 -1.130 11.010 14.475 1.00 0.00 N ATOM 269 CA GLY A 19 -2.296 11.793 14.160 1.00 0.00 C ATOM 270 C GLY A 19 -2.141 12.483 12.829 1.00 0.00 C ATOM 271 O GLY A 19 -1.053 12.460 12.239 1.00 0.00 O ATOM 0 H GLY A 19 -0.354 11.128 13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.176 11.150 14.140 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.462 12.535 14.941 1.00 0.00 H new ATOM 275 N GLU A 20 -3.226 13.082 12.334 1.00 0.00 N ATOM 276 CA GLU A 20 -3.218 13.819 11.062 1.00 0.00 C ATOM 277 C GLU A 20 -2.930 12.895 9.880 1.00 0.00 C ATOM 278 O GLU A 20 -2.466 13.334 8.825 1.00 0.00 O ATOM 279 CB GLU A 20 -2.197 14.974 11.092 1.00 0.00 C ATOM 280 CG GLU A 20 -2.610 16.171 11.943 1.00 0.00 C ATOM 281 CD GLU A 20 -2.787 15.833 13.405 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.773 15.685 14.114 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.940 15.717 13.853 1.00 0.00 O ATOM 0 H GLU A 20 -4.134 13.072 12.799 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.215 14.240 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.247 14.591 11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.024 15.314 10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.857 16.953 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.544 16.578 11.556 1.00 0.00 H new ATOM 290 N TYR A 21 -3.223 11.623 10.047 1.00 0.00 N ATOM 291 CA TYR A 21 -2.986 10.637 9.006 1.00 0.00 C ATOM 292 C TYR A 21 -4.304 10.157 8.417 1.00 0.00 C ATOM 293 O TYR A 21 -5.380 10.548 8.871 1.00 0.00 O ATOM 294 CB TYR A 21 -2.199 9.438 9.566 1.00 0.00 C ATOM 295 CG TYR A 21 -2.924 8.696 10.671 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.791 9.080 11.996 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.749 7.616 10.383 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.457 8.413 13.002 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.419 6.946 11.383 1.00 0.00 C ATOM 300 CZ TYR A 21 -4.269 7.348 12.691 1.00 0.00 C ATOM 301 OH TYR A 21 -4.936 6.682 13.690 1.00 0.00 O ATOM 0 H TYR A 21 -3.630 11.242 10.901 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.398 11.109 8.219 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.985 8.743 8.754 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.240 9.790 9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.155 9.916 12.245 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.867 7.296 9.358 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.341 8.725 14.029 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.059 6.110 11.142 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.640 6.124 13.298 1.00 0.00 H new ATOM 311 N ILE A 22 -4.218 9.325 7.402 1.00 0.00 N ATOM 312 CA ILE A 22 -5.395 8.762 6.783 1.00 0.00 C ATOM 313 C ILE A 22 -5.305 7.244 6.753 1.00 0.00 C ATOM 314 O ILE A 22 -4.271 6.657 7.069 1.00 0.00 O ATOM 315 CB ILE A 22 -5.622 9.297 5.348 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.558 8.757 4.399 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.619 10.820 5.341 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.743 9.191 2.959 1.00 0.00 C ATOM 0 H ILE A 22 -3.337 9.022 6.986 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.247 9.070 7.389 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.596 8.951 5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.577 9.085 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.564 7.668 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.780 11.179 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.416 11.188 5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.659 11.184 5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.948 8.767 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.708 8.840 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.706 10.279 2.899 1.00 0.00 H new ATOM 330 N LYS A 23 -6.384 6.614 6.381 1.00 0.00 N ATOM 331 CA LYS A 23 -6.443 5.165 6.320 1.00 0.00 C ATOM 332 C LYS A 23 -6.733 4.732 4.905 1.00 0.00 C ATOM 333 O LYS A 23 -7.482 5.388 4.204 1.00 0.00 O ATOM 334 CB LYS A 23 -7.556 4.644 7.228 1.00 0.00 C ATOM 335 CG LYS A 23 -7.442 5.075 8.682 1.00 0.00 C ATOM 336 CD LYS A 23 -8.748 4.831 9.433 1.00 0.00 C ATOM 337 CE LYS A 23 -9.862 5.729 8.903 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.135 5.554 9.645 1.00 0.00 N ATOM 0 H LYS A 23 -7.250 7.081 6.111 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.485 4.762 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.515 4.983 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.562 3.555 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.634 4.526 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.183 6.133 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.040 3.786 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.600 5.019 10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.547 6.770 8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.028 5.512 7.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.859 6.186 9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.453 4.567 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.987 5.786 10.648 1.00 0.00 H new ATOM 352 N LEU A 24 -6.127 3.663 4.470 1.00 0.00 N ATOM 353 CA LEU A 24 -6.412 3.128 3.150 1.00 0.00 C ATOM 354 C LEU A 24 -6.558 1.625 3.200 1.00 0.00 C ATOM 355 O LEU A 24 -6.162 0.972 4.177 1.00 0.00 O ATOM 356 CB LEU A 24 -5.348 3.529 2.115 1.00 0.00 C ATOM 357 CG LEU A 24 -5.275 5.013 1.757 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.311 5.733 2.670 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.879 5.200 0.302 1.00 0.00 C ATOM 0 H LEU A 24 -5.432 3.139 5.002 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.358 3.565 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.373 3.219 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.531 2.965 1.200 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.266 5.445 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.273 6.788 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.646 5.635 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.318 5.296 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.834 6.264 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.901 4.750 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.617 4.720 -0.341 1.00 0.00 H new ATOM 371 N LYS A 25 -7.126 1.069 2.158 1.00 0.00 N ATOM 372 CA LYS A 25 -7.342 -0.351 2.080 1.00 0.00 C ATOM 373 C LYS A 25 -6.974 -0.867 0.706 1.00 0.00 C ATOM 374 O LYS A 25 -7.144 -0.181 -0.295 1.00 0.00 O ATOM 375 CB LYS A 25 -8.801 -0.675 2.425 1.00 0.00 C ATOM 376 CG LYS A 25 -9.136 -2.163 2.476 1.00 0.00 C ATOM 377 CD LYS A 25 -9.815 -2.643 1.205 1.00 0.00 C ATOM 378 CE LYS A 25 -11.179 -1.984 0.998 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.156 -2.369 2.049 1.00 0.00 N ATOM 0 H LYS A 25 -7.450 1.589 1.343 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.700 -0.852 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.037 -0.231 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.447 -0.197 1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.221 -2.734 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.786 -2.358 3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.175 -2.428 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.938 -3.725 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.060 -0.901 0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.571 -2.264 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.120 -2.162 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.069 -3.386 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.963 -1.829 2.917 1.00 0.00 H new ATOM 393 N VAL A 26 -6.446 -2.061 0.661 1.00 0.00 N ATOM 394 CA VAL A 26 -6.045 -2.669 -0.589 1.00 0.00 C ATOM 395 C VAL A 26 -6.869 -3.905 -0.879 1.00 0.00 C ATOM 396 O VAL A 26 -7.223 -4.652 0.032 1.00 0.00 O ATOM 397 CB VAL A 26 -4.521 -3.018 -0.573 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.235 -4.375 -1.214 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.736 -1.935 -1.286 1.00 0.00 C ATOM 0 H VAL A 26 -6.280 -2.641 1.483 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.224 -1.946 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.209 -3.075 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.164 -4.575 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.767 -5.154 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.570 -4.365 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.675 -2.185 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.076 -1.859 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.891 -0.981 -0.782 1.00 0.00 H new ATOM 409 N ILE A 27 -7.197 -4.108 -2.143 1.00 0.00 N ATOM 410 CA ILE A 27 -7.904 -5.293 -2.560 1.00 0.00 C ATOM 411 C ILE A 27 -6.956 -6.164 -3.347 1.00 0.00 C ATOM 412 O ILE A 27 -6.690 -5.905 -4.528 1.00 0.00 O ATOM 413 CB ILE A 27 -9.127 -4.967 -3.454 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.116 -4.064 -2.718 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.816 -6.254 -3.905 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.729 -4.702 -1.497 1.00 0.00 C ATOM 0 H ILE A 27 -6.980 -3.459 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.269 -5.797 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.770 -4.434 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.606 -3.148 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.912 -3.777 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.673 -6.008 -4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.113 -6.863 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.154 -6.811 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.420 -4.001 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.269 -5.603 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.942 -4.964 -0.790 1.00 0.00 H new ATOM 428 N GLY A 28 -6.381 -7.159 -2.696 1.00 0.00 N ATOM 429 CA GLY A 28 -5.493 -8.058 -3.378 1.00 0.00 C ATOM 430 C GLY A 28 -6.198 -8.909 -4.401 1.00 0.00 C ATOM 431 O GLY A 28 -7.422 -9.016 -4.403 1.00 0.00 O ATOM 0 H GLY A 28 -6.517 -7.357 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.708 -7.483 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.006 -8.704 -2.648 1.00 0.00 H new ATOM 435 N GLN A 29 -5.420 -9.544 -5.257 1.00 0.00 N ATOM 436 CA GLN A 29 -5.948 -10.421 -6.298 1.00 0.00 C ATOM 437 C GLN A 29 -6.743 -11.600 -5.719 1.00 0.00 C ATOM 438 O GLN A 29 -7.512 -12.254 -6.421 1.00 0.00 O ATOM 439 CB GLN A 29 -4.821 -10.924 -7.225 1.00 0.00 C ATOM 440 CG GLN A 29 -3.437 -11.127 -6.570 1.00 0.00 C ATOM 441 CD GLN A 29 -3.457 -11.963 -5.288 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.371 -11.302 -4.146 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 -3.477 -13.186 -5.332 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.403 -9.470 -5.255 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.642 -9.825 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.135 -11.872 -7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.711 -10.215 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.775 -11.607 -7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.009 -10.150 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.544 -13.663 -6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.427 -13.728 -4.470 1.00 0.00 H new ATOM 452 N ASP A 30 -6.562 -11.866 -4.438 1.00 0.00 N ATOM 453 CA ASP A 30 -7.280 -12.943 -3.768 1.00 0.00 C ATOM 454 C ASP A 30 -8.416 -12.360 -2.928 1.00 0.00 C ATOM 455 O ASP A 30 -8.944 -13.005 -2.030 1.00 0.00 O ATOM 456 CB ASP A 30 -6.318 -13.742 -2.884 1.00 0.00 C ATOM 457 CG ASP A 30 -6.903 -15.059 -2.416 1.00 0.00 C ATOM 458 OD1 ASP A 30 -7.103 -15.953 -3.259 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.166 -15.208 -1.210 1.00 0.00 O ATOM 0 H ASP A 30 -5.921 -11.350 -3.835 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.703 -13.614 -4.516 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.399 -13.935 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.047 -13.142 -2.016 1.00 0.00 H new ATOM 464 N SER A 31 -8.784 -11.110 -3.237 1.00 0.00 N ATOM 465 CA SER A 31 -9.844 -10.383 -2.525 1.00 0.00 C ATOM 466 C SER A 31 -9.390 -10.032 -1.111 1.00 0.00 C ATOM 467 O SER A 31 -10.194 -9.693 -0.248 1.00 0.00 O ATOM 468 CB SER A 31 -11.139 -11.206 -2.487 1.00 0.00 C ATOM 469 OG SER A 31 -11.446 -11.728 -3.773 1.00 0.00 O ATOM 0 H SER A 31 -8.354 -10.573 -3.990 1.00 0.00 H new ATOM 0 HA SER A 31 -10.046 -9.458 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.034 -12.024 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.961 -10.582 -2.138 1.00 0.00 H new ATOM 0 HG SER A 31 -12.274 -12.250 -3.725 1.00 0.00 H new ATOM 475 N SER A 32 -8.085 -10.097 -0.890 1.00 0.00 N ATOM 476 CA SER A 32 -7.510 -9.825 0.406 1.00 0.00 C ATOM 477 C SER A 32 -7.544 -8.335 0.707 1.00 0.00 C ATOM 478 O SER A 32 -6.817 -7.547 0.094 1.00 0.00 O ATOM 479 CB SER A 32 -6.071 -10.337 0.459 1.00 0.00 C ATOM 480 OG SER A 32 -5.564 -10.309 1.785 1.00 0.00 O ATOM 0 H SER A 32 -7.402 -10.340 -1.607 1.00 0.00 H new ATOM 0 HA SER A 32 -8.101 -10.343 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.030 -11.355 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.441 -9.726 -0.187 1.00 0.00 H new ATOM 0 HG SER A 32 -4.643 -10.643 1.790 1.00 0.00 H new ATOM 486 N GLU A 33 -8.403 -7.945 1.626 1.00 0.00 N ATOM 487 CA GLU A 33 -8.509 -6.562 2.031 1.00 0.00 C ATOM 488 C GLU A 33 -7.522 -6.257 3.136 1.00 0.00 C ATOM 489 O GLU A 33 -7.723 -6.634 4.290 1.00 0.00 O ATOM 490 CB GLU A 33 -9.915 -6.245 2.511 1.00 0.00 C ATOM 491 CG GLU A 33 -11.000 -6.524 1.493 1.00 0.00 C ATOM 492 CD GLU A 33 -12.373 -6.169 2.005 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.679 -4.963 2.111 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.155 -7.091 2.304 1.00 0.00 O ATOM 0 H GLU A 33 -9.043 -8.575 2.110 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.283 -5.943 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.119 -6.827 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.961 -5.193 2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.796 -5.958 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.978 -7.580 1.222 1.00 0.00 H new ATOM 501 N ILE A 34 -6.461 -5.582 2.794 1.00 0.00 N ATOM 502 CA ILE A 34 -5.467 -5.196 3.770 1.00 0.00 C ATOM 503 C ILE A 34 -5.735 -3.767 4.202 1.00 0.00 C ATOM 504 O ILE A 34 -6.041 -2.911 3.372 1.00 0.00 O ATOM 505 CB ILE A 34 -4.031 -5.306 3.191 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.771 -6.722 2.649 1.00 0.00 C ATOM 507 CG2 ILE A 34 -2.995 -4.947 4.253 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.804 -7.806 3.711 1.00 0.00 C ATOM 0 H ILE A 34 -6.257 -5.283 1.840 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.535 -5.871 4.623 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.942 -4.599 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.517 -6.951 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.798 -6.739 2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.995 -5.030 3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.161 -3.925 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.088 -5.630 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.612 -8.774 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.039 -7.604 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.785 -7.819 4.187 1.00 0.00 H new ATOM 520 N HIS A 35 -5.643 -3.498 5.491 1.00 0.00 N ATOM 521 CA HIS A 35 -5.920 -2.168 6.010 1.00 0.00 C ATOM 522 C HIS A 35 -4.657 -1.578 6.587 1.00 0.00 C ATOM 523 O HIS A 35 -3.922 -2.248 7.313 1.00 0.00 O ATOM 524 CB HIS A 35 -7.010 -2.210 7.093 1.00 0.00 C ATOM 525 CG HIS A 35 -8.383 -2.555 6.592 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.532 -2.030 7.135 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.792 -3.404 5.617 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.580 -2.538 6.525 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.161 -3.378 5.601 1.00 0.00 N ATOM 0 H HIS A 35 -5.379 -4.182 6.200 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.278 -1.548 5.188 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.721 -2.938 7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.052 -1.238 7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.156 -3.992 4.972 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.612 -2.306 6.745 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.758 -3.920 4.976 1.00 0.00 H new ATOM 538 N PHE A 36 -4.388 -0.338 6.267 1.00 0.00 N ATOM 539 CA PHE A 36 -3.190 0.325 6.744 1.00 0.00 C ATOM 540 C PHE A 36 -3.437 1.807 6.963 1.00 0.00 C ATOM 541 O PHE A 36 -4.366 2.394 6.401 1.00 0.00 O ATOM 542 CB PHE A 36 -2.027 0.100 5.765 1.00 0.00 C ATOM 543 CG PHE A 36 -2.479 -0.041 4.349 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.805 1.067 3.600 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.604 -1.293 3.775 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.247 0.926 2.303 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.049 -1.435 2.484 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.370 -0.324 1.751 1.00 0.00 C ATOM 0 H PHE A 36 -4.984 0.240 5.674 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.918 -0.111 7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.331 0.936 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.480 -0.797 6.058 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.714 2.053 4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.348 -2.171 4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.497 1.800 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.145 -2.419 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.721 -0.432 0.735 1.00 0.00 H new ATOM 558 N LYS A 37 -2.609 2.403 7.780 1.00 0.00 N ATOM 559 CA LYS A 37 -2.717 3.805 8.116 1.00 0.00 C ATOM 560 C LYS A 37 -1.452 4.542 7.713 1.00 0.00 C ATOM 561 O LYS A 37 -0.356 4.211 8.169 1.00 0.00 O ATOM 562 CB LYS A 37 -2.971 3.961 9.615 1.00 0.00 C ATOM 563 CG LYS A 37 -2.292 2.885 10.467 1.00 0.00 C ATOM 564 CD LYS A 37 -2.231 3.276 11.929 1.00 0.00 C ATOM 565 CE LYS A 37 -3.602 3.615 12.493 1.00 0.00 C ATOM 566 NZ LYS A 37 -3.491 4.264 13.819 1.00 0.00 N ATOM 0 H LYS A 37 -1.831 1.927 8.237 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.555 4.237 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.619 4.942 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.045 3.933 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.835 1.945 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.282 2.712 10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.796 2.458 12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.570 4.135 12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.128 4.277 11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.197 2.706 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.141 5.075 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.739 3.580 14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.515 4.594 13.964 1.00 0.00 H new ATOM 580 N VAL A 38 -1.592 5.535 6.850 1.00 0.00 N ATOM 581 CA VAL A 38 -0.447 6.293 6.366 1.00 0.00 C ATOM 582 C VAL A 38 -0.778 7.780 6.269 1.00 0.00 C ATOM 583 O VAL A 38 -1.942 8.178 6.270 1.00 0.00 O ATOM 584 CB VAL A 38 0.044 5.791 4.970 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.473 4.328 5.020 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.028 5.992 3.913 1.00 0.00 C ATOM 0 H VAL A 38 -2.489 5.836 6.469 1.00 0.00 H new ATOM 0 HA VAL A 38 0.353 6.140 7.091 1.00 0.00 H new ATOM 0 HB VAL A 38 0.915 6.387 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.808 4.013 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.289 4.212 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.371 3.712 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.662 5.635 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.922 5.434 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.271 7.052 3.838 1.00 0.00 H new ATOM 596 N LYS A 39 0.243 8.602 6.203 1.00 0.00 N ATOM 597 CA LYS A 39 0.070 10.035 6.054 1.00 0.00 C ATOM 598 C LYS A 39 -0.195 10.399 4.606 1.00 0.00 C ATOM 599 O LYS A 39 0.173 9.670 3.695 1.00 0.00 O ATOM 600 CB LYS A 39 1.314 10.770 6.551 1.00 0.00 C ATOM 601 CG LYS A 39 1.314 11.024 8.036 1.00 0.00 C ATOM 602 CD LYS A 39 0.398 12.177 8.376 1.00 0.00 C ATOM 603 CE LYS A 39 1.072 13.518 8.169 1.00 0.00 C ATOM 604 NZ LYS A 39 0.233 14.639 8.664 1.00 0.00 N ATOM 0 H LYS A 39 1.216 8.301 6.251 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.790 10.337 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.198 10.187 6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.395 11.723 6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.991 10.127 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.327 11.245 8.373 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.498 12.122 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.075 12.090 9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.032 13.526 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.280 13.660 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.336 15.456 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.764 14.342 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.538 14.904 9.622 1.00 0.00 H new ATOM 618 N MET A 40 -0.835 11.532 4.386 1.00 0.00 N ATOM 619 CA MET A 40 -1.091 11.998 3.037 1.00 0.00 C ATOM 620 C MET A 40 0.197 12.439 2.394 1.00 0.00 C ATOM 621 O MET A 40 0.418 12.240 1.206 1.00 0.00 O ATOM 622 CB MET A 40 -2.070 13.170 3.045 1.00 0.00 C ATOM 623 CG MET A 40 -3.504 12.772 3.303 1.00 0.00 C ATOM 624 SD MET A 40 -4.592 13.201 1.932 1.00 0.00 S ATOM 625 CE MET A 40 -3.774 12.350 0.579 1.00 0.00 C ATOM 0 H MET A 40 -1.186 12.145 5.122 1.00 0.00 H new ATOM 0 HA MET A 40 -1.526 11.175 2.471 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.759 13.884 3.808 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.013 13.684 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.554 11.698 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.857 13.262 4.211 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.242 12.632 -0.364 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.720 12.628 0.558 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.862 11.273 0.720 1.00 0.00 H new ATOM 635 N THR A 41 1.070 13.019 3.198 1.00 0.00 N ATOM 636 CA THR A 41 2.309 13.558 2.705 1.00 0.00 C ATOM 637 C THR A 41 3.458 12.534 2.769 1.00 0.00 C ATOM 638 O THR A 41 4.635 12.895 2.683 1.00 0.00 O ATOM 639 CB THR A 41 2.692 14.860 3.466 1.00 0.00 C ATOM 640 OG1 THR A 41 3.852 15.466 2.878 1.00 0.00 O ATOM 641 CG2 THR A 41 2.956 14.577 4.939 1.00 0.00 C ATOM 0 H THR A 41 0.935 13.126 4.203 1.00 0.00 H new ATOM 0 HA THR A 41 2.152 13.802 1.654 1.00 0.00 H new ATOM 0 HB THR A 41 1.850 15.547 3.388 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.519 14.775 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.221 15.505 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.059 14.158 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.777 13.865 5.031 1.00 0.00 H new ATOM 649 N THR A 42 3.125 11.259 2.883 1.00 0.00 N ATOM 650 CA THR A 42 4.153 10.233 2.956 1.00 0.00 C ATOM 651 C THR A 42 4.234 9.474 1.633 1.00 0.00 C ATOM 652 O THR A 42 3.381 9.637 0.759 1.00 0.00 O ATOM 653 CB THR A 42 3.897 9.238 4.122 1.00 0.00 C ATOM 654 OG1 THR A 42 5.108 8.549 4.457 1.00 0.00 O ATOM 655 CG2 THR A 42 2.839 8.210 3.744 1.00 0.00 C ATOM 0 H THR A 42 2.167 10.913 2.927 1.00 0.00 H new ATOM 0 HA THR A 42 5.102 10.733 3.149 1.00 0.00 H new ATOM 0 HB THR A 42 3.545 9.815 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.980 8.048 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.681 7.527 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.904 8.719 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.174 7.647 2.873 1.00 0.00 H new ATOM 663 N HIS A 43 5.255 8.654 1.480 1.00 0.00 N ATOM 664 CA HIS A 43 5.431 7.880 0.270 1.00 0.00 C ATOM 665 C HIS A 43 4.577 6.627 0.283 1.00 0.00 C ATOM 666 O HIS A 43 4.428 5.959 1.307 1.00 0.00 O ATOM 667 CB HIS A 43 6.900 7.511 0.051 1.00 0.00 C ATOM 668 CG HIS A 43 7.736 8.626 -0.492 1.00 0.00 C ATOM 669 ND1 HIS A 43 7.390 9.732 -1.182 1.00 0.00 N flip ATOM 670 CD2 HIS A 43 9.106 8.664 -0.381 1.00 0.00 C flip ATOM 671 CE1 HIS A 43 8.541 10.408 -1.472 1.00 0.00 C flip ATOM 672 NE2 HIS A 43 9.564 9.744 -0.978 1.00 0.00 N flip ATOM 0 H HIS A 43 5.979 8.507 2.184 1.00 0.00 H new ATOM 0 HA HIS A 43 5.106 8.509 -0.559 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.325 7.181 0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.953 6.665 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.712 7.923 0.118 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.602 11.338 -2.019 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.544 10.019 -1.046 1.00 0.00 H new ATOM 681 N LEU A 44 4.037 6.302 -0.873 1.00 0.00 N ATOM 682 CA LEU A 44 3.191 5.127 -1.054 1.00 0.00 C ATOM 683 C LEU A 44 4.039 3.871 -0.968 1.00 0.00 C ATOM 684 O LEU A 44 3.527 2.757 -0.868 1.00 0.00 O ATOM 685 CB LEU A 44 2.504 5.191 -2.427 1.00 0.00 C ATOM 686 CG LEU A 44 0.988 4.952 -2.464 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.638 3.569 -1.974 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.261 5.998 -1.655 1.00 0.00 C ATOM 0 H LEU A 44 4.170 6.847 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 44 2.432 5.106 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.702 6.172 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.978 4.455 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 44 0.667 5.032 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.443 3.432 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.121 2.825 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.982 3.449 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.812 5.809 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.598 5.956 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.471 6.986 -2.065 1.00 0.00 H new ATOM 700 N LYS A 45 5.351 4.060 -1.006 1.00 0.00 N ATOM 701 CA LYS A 45 6.289 2.967 -0.952 1.00 0.00 C ATOM 702 C LYS A 45 6.075 2.101 0.275 1.00 0.00 C ATOM 703 O LYS A 45 5.933 0.899 0.156 1.00 0.00 O ATOM 704 CB LYS A 45 7.734 3.485 -1.028 1.00 0.00 C ATOM 705 CG LYS A 45 8.156 4.418 0.099 1.00 0.00 C ATOM 706 CD LYS A 45 8.907 3.667 1.196 1.00 0.00 C ATOM 707 CE LYS A 45 10.219 3.085 0.691 1.00 0.00 C ATOM 708 NZ LYS A 45 10.679 1.961 1.543 1.00 0.00 N ATOM 0 H LYS A 45 5.787 4.980 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 45 6.110 2.335 -1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.408 2.629 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.865 4.006 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.790 5.210 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.275 4.899 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.106 4.343 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.279 2.864 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.093 2.738 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.981 3.864 0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.656 1.710 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.644 2.246 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.061 1.138 1.396 1.00 0.00 H new ATOM 722 N LYS A 46 5.996 2.722 1.451 1.00 0.00 N ATOM 723 CA LYS A 46 5.836 1.988 2.702 1.00 0.00 C ATOM 724 C LYS A 46 4.521 1.239 2.718 1.00 0.00 C ATOM 725 O LYS A 46 4.395 0.194 3.331 1.00 0.00 O ATOM 726 CB LYS A 46 5.923 2.942 3.906 1.00 0.00 C ATOM 727 CG LYS A 46 4.905 4.081 3.880 1.00 0.00 C ATOM 728 CD LYS A 46 5.050 5.000 5.086 1.00 0.00 C ATOM 729 CE LYS A 46 4.642 4.307 6.378 1.00 0.00 C ATOM 730 NZ LYS A 46 4.902 5.158 7.567 1.00 0.00 N ATOM 0 H LYS A 46 6.041 3.735 1.562 1.00 0.00 H new ATOM 0 HA LYS A 46 6.647 1.263 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.784 2.367 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.926 3.367 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.031 4.660 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.897 3.667 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.084 5.336 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.436 5.889 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.582 4.055 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.189 3.369 6.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.410 4.604 8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.480 5.977 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.998 5.490 7.961 1.00 0.00 H new ATOM 744 N LEU A 47 3.553 1.773 2.021 1.00 0.00 N ATOM 745 CA LEU A 47 2.232 1.199 1.945 1.00 0.00 C ATOM 746 C LEU A 47 2.239 -0.069 1.083 1.00 0.00 C ATOM 747 O LEU A 47 1.754 -1.125 1.500 1.00 0.00 O ATOM 748 CB LEU A 47 1.287 2.257 1.365 1.00 0.00 C ATOM 749 CG LEU A 47 -0.213 1.945 1.351 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.005 3.240 1.227 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.571 1.008 0.200 1.00 0.00 C ATOM 0 H LEU A 47 3.660 2.632 1.481 1.00 0.00 H new ATOM 0 HA LEU A 47 1.892 0.907 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.432 3.180 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.597 2.457 0.339 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.467 1.447 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.071 3.015 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.779 3.888 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.733 3.746 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.642 0.805 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.305 1.477 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.022 0.072 0.308 1.00 0.00 H new ATOM 763 N LYS A 48 2.801 0.036 -0.116 1.00 0.00 N ATOM 764 CA LYS A 48 2.824 -1.084 -1.052 1.00 0.00 C ATOM 765 C LYS A 48 3.620 -2.262 -0.504 1.00 0.00 C ATOM 766 O LYS A 48 3.203 -3.413 -0.616 1.00 0.00 O ATOM 767 CB LYS A 48 3.306 -0.645 -2.457 1.00 0.00 C ATOM 768 CG LYS A 48 4.526 0.261 -2.457 1.00 0.00 C ATOM 769 CD LYS A 48 4.703 0.982 -3.792 1.00 0.00 C ATOM 770 CE LYS A 48 5.231 0.064 -4.879 1.00 0.00 C ATOM 771 NZ LYS A 48 6.670 -0.267 -4.692 1.00 0.00 N ATOM 0 H LYS A 48 3.247 0.885 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 48 1.798 -1.432 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.532 -1.536 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.489 -0.130 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.432 0.996 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.417 -0.330 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.746 1.400 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.389 1.819 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.647 -0.857 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.093 0.539 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.842 -1.249 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.251 0.375 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.924 -0.158 -3.689 1.00 0.00 H new ATOM 785 N GLU A 49 4.741 -1.979 0.120 1.00 0.00 N ATOM 786 CA GLU A 49 5.554 -3.031 0.723 1.00 0.00 C ATOM 787 C GLU A 49 4.876 -3.578 1.984 1.00 0.00 C ATOM 788 O GLU A 49 5.001 -4.761 2.313 1.00 0.00 O ATOM 789 CB GLU A 49 6.986 -2.532 1.021 1.00 0.00 C ATOM 790 CG GLU A 49 7.044 -1.173 1.696 1.00 0.00 C ATOM 791 CD GLU A 49 8.458 -0.618 1.822 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.980 -0.073 0.816 1.00 0.00 O ATOM 793 OE2 GLU A 49 9.042 -0.688 2.920 1.00 0.00 O ATOM 0 H GLU A 49 5.116 -1.037 0.227 1.00 0.00 H new ATOM 0 HA GLU A 49 5.640 -3.848 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.488 -3.262 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.544 -2.485 0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.435 -0.468 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.602 -1.250 2.690 1.00 0.00 H new ATOM 800 N SER A 50 4.112 -2.722 2.665 1.00 0.00 N ATOM 801 CA SER A 50 3.429 -3.112 3.888 1.00 0.00 C ATOM 802 C SER A 50 2.315 -4.114 3.608 1.00 0.00 C ATOM 803 O SER A 50 2.204 -5.137 4.282 1.00 0.00 O ATOM 804 CB SER A 50 2.857 -1.885 4.611 1.00 0.00 C ATOM 805 OG SER A 50 2.387 -2.218 5.909 1.00 0.00 O ATOM 0 H SER A 50 3.954 -1.754 2.385 1.00 0.00 H new ATOM 0 HA SER A 50 4.167 -3.590 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.625 -1.116 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.041 -1.463 4.024 1.00 0.00 H new ATOM 0 HG SER A 50 2.031 -1.415 6.344 1.00 0.00 H new ATOM 811 N TYR A 51 1.501 -3.858 2.591 1.00 0.00 N ATOM 812 CA TYR A 51 0.390 -4.746 2.318 1.00 0.00 C ATOM 813 C TYR A 51 0.884 -6.036 1.678 1.00 0.00 C ATOM 814 O TYR A 51 0.324 -7.108 1.910 1.00 0.00 O ATOM 815 CB TYR A 51 -0.703 -4.065 1.462 1.00 0.00 C ATOM 816 CG TYR A 51 -0.497 -4.126 -0.040 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.857 -5.259 -0.762 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.039 -3.057 -0.733 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.684 -5.324 -2.124 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.215 -3.115 -2.106 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.149 -4.252 -2.791 1.00 0.00 C ATOM 822 OH TYR A 51 0.022 -4.314 -4.147 1.00 0.00 O ATOM 0 H TYR A 51 1.589 -3.062 1.959 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.077 -4.996 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.662 -4.526 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.771 -3.018 1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.281 -6.105 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.325 -2.164 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.968 -6.214 -2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.635 -2.273 -2.636 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.611 -4.958 -4.527 1.00 0.00 H new ATOM 832 N CYS A 52 1.953 -5.943 0.881 1.00 0.00 N ATOM 833 CA CYS A 52 2.519 -7.117 0.236 1.00 0.00 C ATOM 834 C CYS A 52 2.989 -8.122 1.265 1.00 0.00 C ATOM 835 O CYS A 52 2.714 -9.325 1.151 1.00 0.00 O ATOM 836 CB CYS A 52 3.673 -6.742 -0.686 1.00 0.00 C ATOM 837 SG CYS A 52 3.173 -5.834 -2.165 1.00 0.00 S ATOM 0 H CYS A 52 2.437 -5.070 0.672 1.00 0.00 H new ATOM 0 HA CYS A 52 1.731 -7.569 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.388 -6.139 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.191 -7.652 -0.989 1.00 0.00 H new ATOM 0 HG CYS A 52 2.974 -4.586 -1.861 1.00 0.00 H new ATOM 843 N GLN A 53 3.667 -7.638 2.297 1.00 0.00 N ATOM 844 CA GLN A 53 4.169 -8.524 3.321 1.00 0.00 C ATOM 845 C GLN A 53 3.029 -9.087 4.162 1.00 0.00 C ATOM 846 O GLN A 53 3.116 -10.206 4.662 1.00 0.00 O ATOM 847 CB GLN A 53 5.215 -7.846 4.208 1.00 0.00 C ATOM 848 CG GLN A 53 4.699 -6.648 4.970 1.00 0.00 C ATOM 849 CD GLN A 53 5.682 -6.137 5.991 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.898 -6.268 5.826 1.00 0.00 O ATOM 851 NE2 GLN A 53 5.166 -5.563 7.056 1.00 0.00 N ATOM 0 H GLN A 53 3.876 -6.650 2.441 1.00 0.00 H new ATOM 0 HA GLN A 53 4.664 -9.351 2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.600 -8.577 4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.054 -7.533 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.465 -5.849 4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.768 -6.915 5.470 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.154 -5.477 7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.778 -5.204 7.789 1.00 0.00 H new ATOM 860 N ARG A 54 1.944 -8.302 4.338 1.00 0.00 N ATOM 861 CA ARG A 54 0.762 -8.780 5.070 1.00 0.00 C ATOM 862 C ARG A 54 0.210 -10.049 4.424 1.00 0.00 C ATOM 863 O ARG A 54 -0.263 -10.956 5.104 1.00 0.00 O ATOM 864 CB ARG A 54 -0.336 -7.702 5.086 1.00 0.00 C ATOM 865 CG ARG A 54 0.032 -6.412 5.803 1.00 0.00 C ATOM 866 CD ARG A 54 0.186 -6.610 7.295 1.00 0.00 C ATOM 867 NE ARG A 54 0.511 -5.354 7.978 1.00 0.00 N ATOM 868 CZ ARG A 54 1.207 -5.268 9.120 1.00 0.00 C ATOM 869 NH1 ARG A 54 1.653 -6.367 9.718 1.00 0.00 N ATOM 870 NH2 ARG A 54 1.447 -4.078 9.661 1.00 0.00 N ATOM 0 H ARG A 54 1.867 -7.348 3.987 1.00 0.00 H new ATOM 0 HA ARG A 54 1.067 -8.999 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.603 -7.463 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.226 -8.120 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.964 -6.023 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.737 -5.662 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.737 -7.019 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.971 -7.342 7.486 1.00 0.00 H new ATOM 0 HE ARG A 54 0.185 -4.485 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.466 -7.282 9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.182 -6.296 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.102 -3.232 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.977 -4.010 10.530 1.00 0.00 H new ATOM 884 N GLN A 55 0.279 -10.106 3.102 1.00 0.00 N ATOM 885 CA GLN A 55 -0.206 -11.259 2.354 1.00 0.00 C ATOM 886 C GLN A 55 0.850 -12.356 2.304 1.00 0.00 C ATOM 887 O GLN A 55 0.544 -13.522 2.070 1.00 0.00 O ATOM 888 CB GLN A 55 -0.579 -10.836 0.940 1.00 0.00 C ATOM 889 CG GLN A 55 -1.741 -9.859 0.885 1.00 0.00 C ATOM 890 CD GLN A 55 -1.635 -8.889 -0.274 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.416 -8.493 -0.596 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.638 -8.474 -0.853 1.00 0.00 N flip ATOM 0 H GLN A 55 0.668 -9.363 2.522 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.087 -11.653 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.290 -10.381 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.833 -11.723 0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.675 -10.416 0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.784 -9.299 1.819 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.562 -8.805 -0.574 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.546 -7.799 -1.612 1.00 0.00 H new ATOM 901 N GLY A 56 2.098 -11.979 2.524 1.00 0.00 N ATOM 902 CA GLY A 56 3.174 -12.945 2.522 1.00 0.00 C ATOM 903 C GLY A 56 3.637 -13.292 1.124 1.00 0.00 C ATOM 904 O GLY A 56 4.040 -14.421 0.855 1.00 0.00 O ATOM 0 H GLY A 56 2.386 -11.017 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.015 -12.549 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.845 -13.852 3.028 1.00 0.00 H new ATOM 908 N VAL A 57 3.577 -12.326 0.223 1.00 0.00 N ATOM 909 CA VAL A 57 3.992 -12.547 -1.154 1.00 0.00 C ATOM 910 C VAL A 57 4.908 -11.423 -1.621 1.00 0.00 C ATOM 911 O VAL A 57 4.785 -10.286 -1.155 1.00 0.00 O ATOM 912 CB VAL A 57 2.775 -12.651 -2.120 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.900 -13.844 -1.767 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.958 -11.366 -2.115 1.00 0.00 C ATOM 0 H VAL A 57 3.245 -11.382 0.419 1.00 0.00 H new ATOM 0 HA VAL A 57 4.528 -13.496 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 57 3.164 -12.800 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.057 -13.894 -2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.486 -14.760 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.529 -13.734 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.115 -11.468 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.587 -11.174 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.586 -10.534 -2.435 1.00 0.00 H new ATOM 924 N PRO A 58 5.855 -11.727 -2.522 1.00 0.00 N ATOM 925 CA PRO A 58 6.761 -10.724 -3.069 1.00 0.00 C ATOM 926 C PRO A 58 6.013 -9.681 -3.906 1.00 0.00 C ATOM 927 O PRO A 58 4.999 -9.980 -4.553 1.00 0.00 O ATOM 928 CB PRO A 58 7.726 -11.530 -3.943 1.00 0.00 C ATOM 929 CG PRO A 58 7.010 -12.801 -4.239 1.00 0.00 C ATOM 930 CD PRO A 58 6.124 -13.073 -3.059 1.00 0.00 C ATOM 0 HA PRO A 58 7.267 -10.160 -2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.971 -10.993 -4.859 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.665 -11.718 -3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.423 -12.712 -5.153 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.716 -13.618 -4.391 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.205 -13.580 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.617 -13.709 -2.324 1.00 0.00 H new ATOM 938 N MET A 59 6.534 -8.468 -3.916 1.00 0.00 N ATOM 939 CA MET A 59 5.899 -7.341 -4.601 1.00 0.00 C ATOM 940 C MET A 59 5.999 -7.479 -6.116 1.00 0.00 C ATOM 941 O MET A 59 5.383 -6.728 -6.866 1.00 0.00 O ATOM 942 CB MET A 59 6.559 -6.033 -4.159 1.00 0.00 C ATOM 943 CG MET A 59 6.651 -5.868 -2.652 1.00 0.00 C ATOM 944 SD MET A 59 7.422 -4.309 -2.165 1.00 0.00 S ATOM 945 CE MET A 59 6.225 -3.136 -2.790 1.00 0.00 C ATOM 0 H MET A 59 7.410 -8.229 -3.451 1.00 0.00 H new ATOM 0 HA MET A 59 4.843 -7.335 -4.332 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.562 -5.983 -4.582 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.997 -5.196 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.650 -5.923 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.223 -6.697 -2.234 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.364 -2.175 -2.294 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.363 -3.013 -3.864 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.218 -3.504 -2.593 1.00 0.00 H new ATOM 955 N ASN A 60 6.777 -8.443 -6.564 1.00 0.00 N ATOM 956 CA ASN A 60 6.986 -8.679 -7.989 1.00 0.00 C ATOM 957 C ASN A 60 5.922 -9.612 -8.550 1.00 0.00 C ATOM 958 O ASN A 60 5.816 -9.809 -9.757 1.00 0.00 O ATOM 959 CB ASN A 60 8.382 -9.283 -8.226 1.00 0.00 C ATOM 960 CG ASN A 60 8.603 -10.599 -7.476 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.672 -11.370 -7.243 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.827 -10.860 -7.093 1.00 0.00 N ATOM 0 H ASN A 60 7.284 -9.087 -5.957 1.00 0.00 H new ATOM 0 HA ASN A 60 6.913 -7.721 -8.504 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.521 -9.453 -9.294 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.140 -8.564 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.030 -11.722 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.578 -10.202 -7.301 1.00 0.00 H new ATOM 969 N SER A 61 5.150 -10.203 -7.664 1.00 0.00 N ATOM 970 CA SER A 61 4.138 -11.147 -8.040 1.00 0.00 C ATOM 971 C SER A 61 2.803 -10.478 -8.302 1.00 0.00 C ATOM 972 O SER A 61 1.970 -10.999 -9.040 1.00 0.00 O ATOM 973 CB SER A 61 3.989 -12.182 -6.942 1.00 0.00 C ATOM 974 OG SER A 61 5.169 -12.951 -6.808 1.00 0.00 O ATOM 0 H SER A 61 5.213 -10.037 -6.660 1.00 0.00 H new ATOM 0 HA SER A 61 4.450 -11.623 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.764 -11.686 -5.998 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.147 -12.837 -7.166 1.00 0.00 H new ATOM 0 HG SER A 61 5.947 -12.396 -7.025 1.00 0.00 H new ATOM 980 N LEU A 62 2.586 -9.332 -7.713 1.00 0.00 N ATOM 981 CA LEU A 62 1.321 -8.654 -7.865 1.00 0.00 C ATOM 982 C LEU A 62 1.478 -7.240 -8.413 1.00 0.00 C ATOM 983 O LEU A 62 2.577 -6.692 -8.456 1.00 0.00 O ATOM 984 CB LEU A 62 0.542 -8.681 -6.549 1.00 0.00 C ATOM 985 CG LEU A 62 1.344 -8.397 -5.278 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.759 -6.936 -5.200 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.547 -8.801 -4.052 1.00 0.00 C ATOM 0 H LEU A 62 3.264 -8.848 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 62 0.742 -9.196 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.265 -7.951 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.077 -9.661 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 62 2.255 -8.994 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.327 -6.767 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.377 -6.687 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.870 -6.305 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.130 -8.593 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.383 -8.234 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.321 -9.866 -4.100 1.00 0.00 H new ATOM 999 N ARG A 63 0.365 -6.654 -8.821 1.00 0.00 N ATOM 1000 CA ARG A 63 0.364 -5.333 -9.427 1.00 0.00 C ATOM 1001 C ARG A 63 -0.459 -4.361 -8.612 1.00 0.00 C ATOM 1002 O ARG A 63 -1.652 -4.556 -8.415 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.184 -5.387 -10.859 1.00 0.00 C ATOM 1004 CG ARG A 63 0.583 -6.315 -11.774 1.00 0.00 C ATOM 1005 CD ARG A 63 0.138 -6.186 -13.222 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.211 -6.710 -13.453 1.00 0.00 N ATOM 1007 CZ ARG A 63 -1.942 -6.442 -14.545 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -1.446 -5.668 -15.510 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.156 -6.964 -14.679 1.00 0.00 N ATOM 0 H ARG A 63 -0.559 -7.078 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 63 1.397 -4.987 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.226 -5.704 -10.827 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.169 -4.382 -11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.648 -6.096 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.446 -7.345 -11.443 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.170 -5.136 -13.514 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.843 -6.717 -13.862 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.619 -7.315 -12.740 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.508 -5.278 -15.419 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.004 -5.466 -16.339 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.534 -7.570 -13.951 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.710 -6.759 -15.510 1.00 0.00 H new ATOM 1023 N PHE A 64 0.183 -3.323 -8.135 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.474 -2.286 -7.359 1.00 0.00 C ATOM 1025 C PHE A 64 -0.756 -1.061 -8.220 1.00 0.00 C ATOM 1026 O PHE A 64 0.166 -0.407 -8.718 1.00 0.00 O ATOM 1027 CB PHE A 64 0.391 -1.905 -6.143 1.00 0.00 C ATOM 1028 CG PHE A 64 1.873 -2.196 -6.322 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.602 -1.594 -7.339 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.525 -3.081 -5.474 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.944 -1.873 -7.510 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.867 -3.358 -5.639 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.577 -2.757 -6.658 1.00 0.00 C ATOM 0 H PHE A 64 1.182 -3.168 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.428 -2.674 -7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.262 -0.842 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.028 -2.445 -5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.113 -0.898 -8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.976 -3.558 -4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.497 -1.401 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.362 -4.046 -4.970 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.626 -2.977 -6.789 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.024 -0.748 -8.410 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.398 0.397 -9.214 1.00 0.00 C ATOM 1045 C LEU A 65 -3.644 1.082 -8.644 1.00 0.00 C ATOM 1046 O LEU A 65 -4.369 0.515 -7.828 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.596 -0.009 -10.716 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.911 -0.723 -11.125 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.264 -1.831 -10.170 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.058 0.273 -11.273 1.00 0.00 C ATOM 0 H LEU A 65 -2.809 -1.269 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.582 1.119 -9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.510 0.896 -11.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.766 -0.658 -10.996 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.743 -1.181 -12.100 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.191 -2.306 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.463 -2.570 -10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.394 -1.421 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.966 -0.258 -11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.221 0.784 -10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.807 1.005 -12.041 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.889 2.291 -9.081 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.039 3.051 -8.666 1.00 0.00 C ATOM 1064 C PHE A 66 -5.511 3.902 -9.814 1.00 0.00 C ATOM 1065 O PHE A 66 -4.704 4.524 -10.489 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.701 3.931 -7.466 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.827 4.813 -7.030 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.908 4.286 -6.352 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.803 6.169 -7.299 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.947 5.094 -5.946 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.837 6.987 -6.899 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.915 6.450 -6.221 1.00 0.00 C ATOM 0 H PHE A 66 -3.287 2.781 -9.743 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.831 2.363 -8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.406 3.294 -6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.840 4.552 -7.713 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.939 3.228 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.963 6.592 -7.829 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.786 4.670 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.805 8.045 -7.115 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.729 7.086 -5.907 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.825 3.900 -10.049 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.479 4.667 -11.131 1.00 0.00 C ATOM 1084 C GLU A 67 -6.799 4.457 -12.500 1.00 0.00 C ATOM 1085 O GLU A 67 -6.878 5.305 -13.390 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.582 6.170 -10.793 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.269 6.916 -10.801 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.450 8.409 -10.855 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.893 8.922 -11.902 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.143 9.085 -9.861 1.00 0.00 O ATOM 0 H GLU A 67 -7.482 3.359 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.492 4.272 -11.210 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.256 6.643 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.037 6.275 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.702 6.655 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.678 6.594 -11.659 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.167 3.306 -12.678 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.508 3.001 -13.934 1.00 0.00 C ATOM 1099 C GLY A 68 -4.054 3.444 -13.976 1.00 0.00 C ATOM 1100 O GLY A 68 -3.449 3.529 -15.048 1.00 0.00 O ATOM 0 H GLY A 68 -6.098 2.573 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.558 1.927 -14.111 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.051 3.483 -14.747 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.480 3.713 -12.822 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.094 4.145 -12.745 1.00 0.00 C ATOM 1106 C GLN A 69 -1.362 3.262 -11.753 1.00 0.00 C ATOM 1107 O GLN A 69 -1.879 2.977 -10.679 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.014 5.626 -12.301 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.821 5.816 -10.797 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.038 7.240 -10.336 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.123 8.064 -10.355 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.238 7.522 -9.870 1.00 0.00 N ATOM 0 H GLN A 69 -3.951 3.641 -11.920 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.630 4.060 -13.728 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.189 6.108 -12.826 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.928 6.136 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.511 5.161 -10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.812 5.504 -10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.967 6.809 -9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.438 8.454 -9.506 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.192 2.789 -12.099 1.00 0.00 N ATOM 1122 CA ARG A 70 0.557 1.963 -11.177 1.00 0.00 C ATOM 1123 C ARG A 70 1.114 2.797 -10.042 1.00 0.00 C ATOM 1124 O ARG A 70 1.456 3.975 -10.210 1.00 0.00 O ATOM 1125 CB ARG A 70 1.677 1.204 -11.886 1.00 0.00 C ATOM 1126 CG ARG A 70 2.696 2.089 -12.566 1.00 0.00 C ATOM 1127 CD ARG A 70 4.102 1.672 -12.208 1.00 0.00 C ATOM 1128 NE ARG A 70 4.379 0.280 -12.566 1.00 0.00 N ATOM 1129 CZ ARG A 70 5.557 -0.323 -12.392 1.00 0.00 C ATOM 1130 NH1 ARG A 70 6.605 0.359 -11.933 1.00 0.00 N ATOM 1131 NH2 ARG A 70 5.693 -1.602 -12.706 1.00 0.00 N ATOM 0 H ARG A 70 0.260 2.956 -12.998 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.131 1.226 -10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.189 0.573 -11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.236 0.540 -12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.562 2.039 -13.647 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.535 3.126 -12.273 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.812 2.324 -12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.257 1.807 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 70 3.621 -0.266 -12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.511 1.350 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.501 -0.110 -11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.899 -2.123 -13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.591 -2.067 -12.575 1.00 0.00 H new ATOM 1145 N ILE A 71 1.198 2.206 -8.885 1.00 0.00 N ATOM 1146 CA ILE A 71 1.682 2.904 -7.730 1.00 0.00 C ATOM 1147 C ILE A 71 3.171 2.671 -7.560 1.00 0.00 C ATOM 1148 O ILE A 71 3.616 1.545 -7.356 1.00 0.00 O ATOM 1149 CB ILE A 71 0.959 2.449 -6.454 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.562 2.379 -6.671 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.291 3.386 -5.319 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.185 3.672 -7.159 1.00 0.00 C ATOM 0 H ILE A 71 0.935 1.235 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 71 1.486 3.965 -7.886 1.00 0.00 H new ATOM 0 HB ILE A 71 1.302 1.446 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.778 1.591 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.038 2.092 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.776 3.060 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.367 3.380 -5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.970 4.396 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.259 3.534 -7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.004 4.461 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.741 3.952 -8.114 1.00 0.00 H new ATOM 1164 N ALA A 72 3.946 3.731 -7.644 1.00 0.00 N ATOM 1165 CA ALA A 72 5.371 3.621 -7.503 1.00 0.00 C ATOM 1166 C ALA A 72 5.775 3.969 -6.092 1.00 0.00 C ATOM 1167 O ALA A 72 5.012 4.591 -5.352 1.00 0.00 O ATOM 1168 CB ALA A 72 6.068 4.528 -8.495 1.00 0.00 C ATOM 0 H ALA A 72 3.606 4.678 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 72 5.670 2.593 -7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.148 4.435 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.788 4.242 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.771 5.561 -8.314 1.00 0.00 H new ATOM 1174 N ASP A 73 6.972 3.585 -5.716 1.00 0.00 N ATOM 1175 CA ASP A 73 7.478 3.845 -4.378 1.00 0.00 C ATOM 1176 C ASP A 73 7.665 5.342 -4.125 1.00 0.00 C ATOM 1177 O ASP A 73 7.649 5.801 -2.986 1.00 0.00 O ATOM 1178 CB ASP A 73 8.786 3.064 -4.129 1.00 0.00 C ATOM 1179 CG ASP A 73 9.869 3.361 -5.137 1.00 0.00 C ATOM 1180 OD1 ASP A 73 9.778 2.858 -6.276 1.00 0.00 O ATOM 1181 OD2 ASP A 73 10.828 4.075 -4.791 1.00 0.00 O ATOM 0 H ASP A 73 7.624 3.086 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 73 6.732 3.492 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.156 3.300 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.570 1.996 -4.145 1.00 0.00 H new ATOM 1186 N ASN A 74 7.805 6.114 -5.187 1.00 0.00 N ATOM 1187 CA ASN A 74 7.979 7.557 -5.055 1.00 0.00 C ATOM 1188 C ASN A 74 6.644 8.261 -5.215 1.00 0.00 C ATOM 1189 O ASN A 74 6.560 9.487 -5.191 1.00 0.00 O ATOM 1190 CB ASN A 74 8.966 8.089 -6.095 1.00 0.00 C ATOM 1191 CG ASN A 74 10.238 7.283 -6.148 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.216 7.583 -5.458 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.241 6.260 -6.978 1.00 0.00 N ATOM 0 H ASN A 74 7.802 5.772 -6.148 1.00 0.00 H new ATOM 0 HA ASN A 74 8.380 7.758 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.493 8.081 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.207 9.127 -5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.075 5.680 -7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.409 6.048 -7.529 1.00 0.00 H new ATOM 1200 N HIS A 75 5.589 7.483 -5.378 1.00 0.00 N ATOM 1201 CA HIS A 75 4.251 8.040 -5.511 1.00 0.00 C ATOM 1202 C HIS A 75 3.675 8.308 -4.140 1.00 0.00 C ATOM 1203 O HIS A 75 3.996 7.617 -3.189 1.00 0.00 O ATOM 1204 CB HIS A 75 3.327 7.092 -6.293 1.00 0.00 C ATOM 1205 CG HIS A 75 3.231 7.400 -7.758 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.511 6.623 -8.653 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.740 8.420 -8.482 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.592 7.155 -9.856 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.328 8.244 -9.781 1.00 0.00 N ATOM 0 H HIS A 75 5.631 6.465 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 75 4.322 8.974 -6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.685 6.070 -6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.329 7.134 -5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.356 9.225 -8.109 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.132 6.764 -10.752 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.556 8.859 -10.562 1.00 0.00 H new ATOM 1218 N THR A 76 2.878 9.340 -4.018 1.00 0.00 N ATOM 1219 CA THR A 76 2.245 9.665 -2.739 1.00 0.00 C ATOM 1220 C THR A 76 0.728 9.699 -2.872 1.00 0.00 C ATOM 1221 O THR A 76 0.205 9.916 -3.969 1.00 0.00 O ATOM 1222 CB THR A 76 2.733 11.029 -2.222 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.450 12.040 -3.188 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.218 10.999 -1.962 1.00 0.00 C ATOM 0 H THR A 76 2.645 9.976 -4.780 1.00 0.00 H new ATOM 0 HA THR A 76 2.524 8.886 -2.030 1.00 0.00 H new ATOM 0 HB THR A 76 2.213 11.249 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.286 12.465 -3.472 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.543 11.973 -1.597 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.441 10.238 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.745 10.764 -2.887 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.005 9.494 -1.756 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.466 9.521 -1.765 1.00 0.00 C ATOM 1234 C PRO A 77 -1.982 10.886 -2.180 1.00 0.00 C ATOM 1235 O PRO A 77 -2.970 11.008 -2.897 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.855 9.237 -0.304 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.642 8.650 0.323 1.00 0.00 C ATOM 1238 CD PRO A 77 0.531 9.225 -0.409 1.00 0.00 C ATOM 0 HA PRO A 77 -1.886 8.802 -2.469 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.157 10.151 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.698 8.548 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.596 8.895 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.653 7.563 0.247 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.895 10.135 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.367 8.526 -0.441 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.291 11.923 -1.739 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.675 13.289 -2.040 1.00 0.00 C ATOM 1248 C LYS A 78 -1.517 13.601 -3.519 1.00 0.00 C ATOM 1249 O LYS A 78 -2.363 14.252 -4.121 1.00 0.00 O ATOM 1250 CB LYS A 78 -0.855 14.269 -1.213 1.00 0.00 C ATOM 1251 CG LYS A 78 0.641 14.022 -1.276 1.00 0.00 C ATOM 1252 CD LYS A 78 1.416 15.237 -0.833 1.00 0.00 C ATOM 1253 CE LYS A 78 1.433 16.295 -1.919 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.120 17.539 -1.478 1.00 0.00 N ATOM 0 H LYS A 78 -0.452 11.841 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.729 13.396 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.061 15.282 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.180 14.213 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.899 13.173 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.926 13.758 -2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.970 15.647 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.438 14.950 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.933 15.899 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.410 16.531 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.108 18.235 -2.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.628 17.933 -0.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.104 17.320 -1.224 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.439 13.122 -4.112 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.167 13.386 -5.509 1.00 0.00 C ATOM 1270 C GLU A 79 -1.054 12.554 -6.410 1.00 0.00 C ATOM 1271 O GLU A 79 -1.481 13.008 -7.473 1.00 0.00 O ATOM 1272 CB GLU A 79 1.292 13.128 -5.831 1.00 0.00 C ATOM 1273 CG GLU A 79 2.235 14.232 -5.398 1.00 0.00 C ATOM 1274 CD GLU A 79 1.817 15.592 -5.903 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.864 15.814 -7.124 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.457 16.448 -5.075 1.00 0.00 O ATOM 0 H GLU A 79 0.262 12.547 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.387 14.438 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.598 12.198 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.393 12.982 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.286 14.254 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.239 14.008 -5.759 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.350 11.326 -5.993 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.199 10.459 -6.791 1.00 0.00 C ATOM 1285 C LEU A 80 -3.664 10.825 -6.608 1.00 0.00 C ATOM 1286 O LEU A 80 -4.544 10.262 -7.255 1.00 0.00 O ATOM 1287 CB LEU A 80 -1.975 8.980 -6.453 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.528 8.468 -6.535 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.499 6.976 -6.778 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.262 9.197 -7.601 1.00 0.00 C ATOM 0 H LEU A 80 -1.018 10.917 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.926 10.608 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.343 8.802 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.588 8.380 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.054 8.672 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.535 6.636 -6.832 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.007 6.464 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.005 6.750 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.280 8.808 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.211 9.047 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.287 10.262 -7.371 1.00 0.00 H new ATOM 1302 N GLY A 81 -3.924 11.774 -5.727 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.278 12.225 -5.503 1.00 0.00 C ATOM 1304 C GLY A 81 -6.100 11.229 -4.720 1.00 0.00 C ATOM 1305 O GLY A 81 -7.221 10.893 -5.106 1.00 0.00 O ATOM 0 H GLY A 81 -3.217 12.243 -5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.257 13.174 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.758 12.412 -6.463 1.00 0.00 H new ATOM 1309 N MET A 82 -5.549 10.737 -3.634 1.00 0.00 N ATOM 1310 CA MET A 82 -6.242 9.802 -2.770 1.00 0.00 C ATOM 1311 C MET A 82 -6.725 10.523 -1.528 1.00 0.00 C ATOM 1312 O MET A 82 -6.295 11.641 -1.243 1.00 0.00 O ATOM 1313 CB MET A 82 -5.300 8.672 -2.362 1.00 0.00 C ATOM 1314 CG MET A 82 -4.820 7.819 -3.515 1.00 0.00 C ATOM 1315 SD MET A 82 -3.537 6.655 -3.017 1.00 0.00 S ATOM 1316 CE MET A 82 -3.130 5.920 -4.592 1.00 0.00 C ATOM 0 H MET A 82 -4.607 10.973 -3.322 1.00 0.00 H new ATOM 0 HA MET A 82 -7.093 9.385 -3.308 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.434 9.100 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.808 8.034 -1.639 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.663 7.270 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.436 8.464 -4.306 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.145 5.457 -4.534 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.872 5.162 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.124 6.691 -5.363 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.613 9.902 -0.789 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.123 10.491 0.433 1.00 0.00 C ATOM 1328 C GLU A 83 -8.259 9.430 1.520 1.00 0.00 C ATOM 1329 O GLU A 83 -7.832 8.289 1.345 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.469 11.173 0.172 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.533 10.246 -0.398 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.847 10.949 -0.633 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.566 11.213 0.353 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.169 11.255 -1.802 1.00 0.00 O ATOM 0 H GLU A 83 -8.001 8.985 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.416 11.245 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.836 11.599 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.316 12.002 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.177 9.825 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.688 9.412 0.287 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.852 9.798 2.650 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.008 8.858 3.742 1.00 0.00 C ATOM 1343 C GLU A 84 -10.075 7.816 3.423 1.00 0.00 C ATOM 1344 O GLU A 84 -11.122 8.127 2.841 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.312 9.573 5.068 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.602 10.375 5.084 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.910 10.924 6.460 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.449 10.173 7.290 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.591 12.097 6.727 1.00 0.00 O ATOM 0 H GLU A 84 -9.227 10.730 2.829 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.057 8.339 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.355 8.829 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.483 10.242 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.526 11.198 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.426 9.743 4.753 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.769 6.570 3.768 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.640 5.411 3.570 1.00 0.00 C ATOM 1358 C GLU A 85 -10.620 4.949 2.103 1.00 0.00 C ATOM 1359 O GLU A 85 -11.337 4.026 1.716 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.074 5.683 4.061 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.905 4.426 4.267 1.00 0.00 C ATOM 1362 CD GLU A 85 -14.320 4.728 4.685 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -14.547 4.994 5.884 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -15.217 4.702 3.815 1.00 0.00 O ATOM 0 H GLU A 85 -8.881 6.328 4.207 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.247 4.597 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.027 6.234 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.579 6.326 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.919 3.849 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.432 3.802 5.025 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.787 5.605 1.284 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.644 5.235 -0.130 1.00 0.00 C ATOM 1373 C ASP A 86 -9.149 3.806 -0.277 1.00 0.00 C ATOM 1374 O ASP A 86 -8.600 3.215 0.661 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.688 6.178 -0.857 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.300 6.778 -2.103 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -10.170 6.122 -2.729 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.931 7.912 -2.459 1.00 0.00 O ATOM 0 H ASP A 86 -9.205 6.391 1.575 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.633 5.317 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.390 6.979 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.782 5.635 -1.127 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.320 3.253 -1.451 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.937 1.883 -1.702 1.00 0.00 C ATOM 1385 C VAL A 87 -8.052 1.790 -2.937 1.00 0.00 C ATOM 1386 O VAL A 87 -8.196 2.562 -3.884 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.187 0.974 -1.877 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.004 1.394 -3.084 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.791 -0.489 -1.987 1.00 0.00 C ATOM 0 H VAL A 87 -9.725 3.733 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.374 1.533 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.806 1.093 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.871 0.741 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.338 2.424 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.391 1.319 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.685 -1.100 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.138 -0.625 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.265 -0.792 -1.082 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.126 0.859 -2.919 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.240 0.641 -4.035 1.00 0.00 C ATOM 1401 C ILE A 88 -6.519 -0.741 -4.624 1.00 0.00 C ATOM 1402 O ILE A 88 -6.952 -1.654 -3.908 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.748 0.755 -3.604 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.516 2.053 -2.826 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.819 0.693 -4.807 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.537 1.874 -1.324 1.00 0.00 C ATOM 0 H ILE A 88 -6.967 0.233 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.422 1.409 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.522 -0.093 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.555 2.475 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.281 2.777 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.785 0.775 -4.473 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.958 -0.255 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.047 1.515 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.366 2.836 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.507 1.482 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.754 1.175 -1.030 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.262 -0.912 -5.907 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.560 -2.159 -6.580 1.00 0.00 C ATOM 1420 C GLU A 89 -5.278 -2.937 -6.820 1.00 0.00 C ATOM 1421 O GLU A 89 -4.238 -2.358 -7.154 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.267 -1.882 -7.909 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.665 -3.134 -8.669 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.749 -3.923 -7.972 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.425 -4.743 -7.100 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.941 -3.734 -8.308 1.00 0.00 O ATOM 0 H GLU A 89 -5.846 -0.198 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.220 -2.754 -5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.160 -1.287 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.612 -1.280 -8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.009 -2.855 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.788 -3.768 -8.800 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.322 -4.238 -6.615 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.162 -5.068 -6.829 1.00 0.00 C ATOM 1435 C VAL A 90 -4.492 -6.264 -7.722 1.00 0.00 C ATOM 1436 O VAL A 90 -5.497 -6.948 -7.533 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.590 -5.569 -5.489 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.378 -6.469 -5.702 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.234 -4.396 -4.594 1.00 0.00 C ATOM 0 H VAL A 90 -6.152 -4.741 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.413 -4.454 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.360 -6.163 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.000 -6.804 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.668 -7.334 -6.299 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.599 -5.913 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.831 -4.767 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.487 -3.775 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.128 -3.803 -4.399 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.627 -6.522 -8.683 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.788 -7.637 -9.604 1.00 0.00 C ATOM 1451 C TYR A 91 -2.620 -8.594 -9.453 1.00 0.00 C ATOM 1452 O TYR A 91 -1.732 -8.371 -8.640 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.849 -7.142 -11.051 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.135 -6.450 -11.433 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.306 -5.091 -11.223 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -6.170 -7.159 -12.023 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.474 -4.458 -11.588 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.344 -6.534 -12.389 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.493 -5.184 -12.169 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.662 -4.556 -12.535 1.00 0.00 O ATOM 0 H TYR A 91 -2.789 -5.964 -8.850 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.722 -8.147 -9.367 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.020 -6.455 -11.220 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.699 -7.992 -11.717 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.512 -4.519 -10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.055 -8.218 -12.199 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.591 -3.398 -11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.142 -7.101 -12.846 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.275 -5.210 -12.931 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.614 -9.657 -10.224 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.521 -10.606 -10.203 1.00 0.00 C ATOM 1472 C GLN A 92 -0.687 -10.454 -11.481 1.00 0.00 C ATOM 1473 O GLN A 92 -1.229 -10.175 -12.554 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.066 -12.038 -10.111 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.052 -13.060 -9.615 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.872 -13.015 -8.110 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.545 -13.728 -7.376 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.032 -12.178 -7.640 1.00 0.00 N ATOM 0 H GLN A 92 -3.360 -9.889 -10.880 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.895 -10.409 -9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.928 -12.045 -9.444 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.422 -12.344 -11.095 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.374 -14.059 -9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.092 -12.879 -10.098 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.574 -11.600 -8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.189 -12.109 -6.635 1.00 0.00 H new ATOM 1487 N GLU A 93 0.627 -10.591 -11.362 1.00 0.00 N ATOM 1488 CA GLU A 93 1.512 -10.541 -12.528 1.00 0.00 C ATOM 1489 C GLU A 93 2.489 -11.715 -12.528 1.00 0.00 C ATOM 1490 O GLU A 93 3.526 -11.688 -13.200 1.00 0.00 O ATOM 1491 CB GLU A 93 2.263 -9.207 -12.622 1.00 0.00 C ATOM 1492 CG GLU A 93 3.143 -8.872 -11.432 1.00 0.00 C ATOM 1493 CD GLU A 93 3.982 -7.637 -11.680 1.00 0.00 C ATOM 1494 OE1 GLU A 93 4.996 -7.738 -12.403 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.630 -6.557 -11.175 1.00 0.00 O ATOM 0 H GLU A 93 1.107 -10.737 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 93 0.880 -10.622 -13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.883 -9.220 -13.519 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.534 -8.407 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.519 -8.716 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.796 -9.717 -11.214 1.00 0.00 H new ATOM 1502 N GLN A 94 2.152 -12.746 -11.758 1.00 0.00 N ATOM 1503 CA GLN A 94 2.937 -13.982 -11.684 1.00 0.00 C ATOM 1504 C GLN A 94 2.899 -14.751 -13.020 1.00 0.00 C ATOM 1505 O GLN A 94 2.692 -14.172 -14.090 1.00 0.00 O ATOM 1506 CB GLN A 94 2.407 -14.863 -10.541 1.00 0.00 C ATOM 1507 CG GLN A 94 2.638 -14.274 -9.171 1.00 0.00 C ATOM 1508 CD GLN A 94 2.046 -15.110 -8.057 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.679 -15.088 -6.901 1.00 0.00 O flip ATOM 1510 NE2 GLN A 94 1.030 -15.780 -8.238 1.00 0.00 N flip ATOM 0 H GLN A 94 1.323 -12.751 -11.164 1.00 0.00 H new ATOM 0 HA GLN A 94 3.976 -13.719 -11.485 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.338 -15.025 -10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.887 -15.840 -10.593 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.710 -14.165 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.207 -13.274 -9.135 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.568 -15.771 -9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.649 -16.345 -7.479 1.00 0.00 H new ATOM 1519 N THR A 95 3.080 -16.047 -12.958 1.00 0.00 N ATOM 1520 CA THR A 95 3.117 -16.869 -14.141 1.00 0.00 C ATOM 1521 C THR A 95 1.754 -17.517 -14.377 1.00 0.00 C ATOM 1522 O THR A 95 1.140 -18.080 -13.463 1.00 0.00 O ATOM 1523 CB THR A 95 4.217 -17.954 -14.019 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.163 -18.875 -15.117 1.00 0.00 O ATOM 1525 CG2 THR A 95 4.073 -18.701 -12.711 1.00 0.00 C ATOM 0 H THR A 95 3.206 -16.561 -12.086 1.00 0.00 H new ATOM 0 HA THR A 95 3.356 -16.235 -14.995 1.00 0.00 H new ATOM 0 HB THR A 95 5.185 -17.453 -14.042 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.869 -19.547 -15.015 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.852 -19.460 -12.638 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.169 -18.002 -11.880 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.095 -19.180 -12.671 1.00 0.00 H new ATOM 1533 N GLY A 96 1.276 -17.431 -15.595 1.00 0.00 N ATOM 1534 CA GLY A 96 -0.011 -17.990 -15.922 1.00 0.00 C ATOM 1535 C GLY A 96 0.089 -19.415 -16.396 1.00 0.00 C ATOM 1536 O GLY A 96 -0.478 -19.784 -17.423 1.00 0.00 O ATOM 0 H GLY A 96 1.758 -16.981 -16.373 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.657 -17.946 -15.045 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.482 -17.384 -16.696 1.00 0.00 H new ATOM 1540 N GLY A 97 0.814 -20.225 -15.657 1.00 0.00 N ATOM 1541 CA GLY A 97 0.984 -21.604 -16.014 1.00 0.00 C ATOM 1542 C GLY A 97 2.168 -22.206 -15.308 1.00 0.00 C ATOM 1543 O GLY A 97 2.442 -21.803 -14.157 1.00 0.00 O ATOM 1544 OXT GLY A 97 2.844 -23.054 -15.901 1.00 0.00 O ATOM 0 H GLY A 97 1.295 -19.945 -14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.083 -22.162 -15.760 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.118 -21.690 -17.092 1.00 0.00 H new TER 1548 GLY A 97