USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS :FLIP no HE2:sc= -7.99! C(o=-12!,f=-9.5!) USER MOD Set 1.2: B 58 THR OG1 : rot 125:sc= -1.51 USER MOD Set 2.1: A 17 HIS :FLIP no HE2:sc= -7.84! C(o=-11!,f=-9.5!) USER MOD Set 2.2: A 58 THR OG1 : rot -110:sc= -1.7 USER MOD Single : A 3 SER OG : rot -20:sc= 0.333 USER MOD Single : A 4 ASN : amide:sc= -2.11 K(o=-2.1,f=-5.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -170:sc= 0.574 USER MOD Single : A 10 GLN : amide:sc= -0.804 K(o=-0.8,f=-2.2!) USER MOD Single : A 13 CYS SG : rot -123:sc= -1.61 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.523 F(o=-2.7,f=-0.52) USER MOD Single : A 25 GLN : amide:sc= -3.17 K(o=-3.2,f=-9.7!) USER MOD Single : A 40 GLN :FLIP amide:sc= -6.89! C(o=-9.5!,f=-6.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 76:sc= 1.17 USER MOD Single : A 49 THR OG1 : rot 95:sc= 0.771 USER MOD Single : A 53 ASN : amide:sc= -1.98! C(o=-2!,f=-4.5!) USER MOD Single : A 59 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.56) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.1) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -0.0807 (180deg=-1.02) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot -22:sc= 0.37 USER MOD Single : B 4 ASN : amide:sc= -2.18 K(o=-2.2,f=-7!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.695 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot -169:sc= 0.763 USER MOD Single : B 10 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.6!) USER MOD Single : B 13 CYS SG : rot -129:sc= -1.42 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -0.524 F(o=-2.6,f=-0.52) USER MOD Single : B 25 GLN : amide:sc= -2.7 K(o=-2.7,f=-9.2!) USER MOD Single : B 40 GLN :FLIP amide:sc= -6.34! C(o=-8.8!,f=-6.3!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 92:sc= 1.26 USER MOD Single : B 49 THR OG1 : rot 94:sc= 0.834 USER MOD Single : B 53 ASN : amide:sc= -1.66! C(o=-1.7!,f=-5!) USER MOD Single : B 59 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.55) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.096) USER MOD Single : B 67 LYS NZ :NH3+ -156:sc= -0.0916 (180deg=-1.1) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -6.046 7.546 19.159 1.00 0.00 N ATOM 31 CA SER A 3 -6.661 7.619 17.845 1.00 0.00 C ATOM 32 C SER A 3 -5.762 6.913 16.827 1.00 0.00 C ATOM 33 O SER A 3 -5.419 7.537 15.812 1.00 0.00 O ATOM 34 CB SER A 3 -6.908 9.068 17.421 1.00 0.00 C ATOM 35 OG SER A 3 -5.873 9.939 17.870 1.00 0.00 O ATOM 0 HA SER A 3 -7.630 7.122 17.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.980 9.121 16.335 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.864 9.405 17.821 1.00 0.00 H new ATOM 0 HG SER A 3 -5.388 9.517 18.610 1.00 0.00 H new ATOM 41 N ASN A 4 -5.405 5.648 17.113 1.00 0.00 N ATOM 42 CA ASN A 4 -4.555 4.870 16.229 1.00 0.00 C ATOM 43 C ASN A 4 -5.254 4.697 14.878 1.00 0.00 C ATOM 44 O ASN A 4 -4.566 4.749 13.848 1.00 0.00 O ATOM 45 CB ASN A 4 -4.291 3.478 16.805 1.00 0.00 C ATOM 46 CG ASN A 4 -2.823 3.081 16.630 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.972 3.887 16.293 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.576 1.798 16.877 1.00 0.00 N ATOM 0 H ASN A 4 -5.699 5.152 17.955 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.609 5.400 16.117 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.552 3.463 17.863 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.930 2.748 16.309 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.627 1.435 16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.336 1.177 17.155 1.00 0.00 H new ATOM 55 N THR A 5 -6.584 4.500 14.910 1.00 0.00 N ATOM 56 CA THR A 5 -7.365 4.322 13.696 1.00 0.00 C ATOM 57 C THR A 5 -7.085 5.484 12.741 1.00 0.00 C ATOM 58 O THR A 5 -6.843 5.226 11.553 1.00 0.00 O ATOM 59 CB THR A 5 -8.839 4.192 14.080 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.059 2.784 14.142 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.778 4.667 12.968 1.00 0.00 C ATOM 0 H THR A 5 -7.131 4.462 15.770 1.00 0.00 H new ATOM 0 HA THR A 5 -7.086 3.410 13.168 1.00 0.00 H new ATOM 0 HB THR A 5 -9.030 4.766 14.987 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.992 2.609 14.387 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.812 4.553 13.292 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.580 5.716 12.748 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.611 4.070 12.071 1.00 0.00 H new ATOM 69 N VAL A 6 -7.124 6.720 13.269 1.00 0.00 N ATOM 70 CA VAL A 6 -6.877 7.907 12.469 1.00 0.00 C ATOM 71 C VAL A 6 -5.578 7.726 11.681 1.00 0.00 C ATOM 72 O VAL A 6 -5.577 7.999 10.472 1.00 0.00 O ATOM 73 CB VAL A 6 -6.865 9.148 13.363 1.00 0.00 C ATOM 74 CG1 VAL A 6 -5.818 10.158 12.887 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.252 9.789 13.432 1.00 0.00 C ATOM 0 H VAL A 6 -7.326 6.911 14.250 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.679 8.052 11.745 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.592 8.831 14.370 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.831 11.031 13.540 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.830 9.698 12.915 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.047 10.465 11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.215 10.669 14.074 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.567 10.083 12.431 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.964 9.072 13.840 1.00 0.00 H new ATOM 85 N SER A 7 -4.514 7.274 12.370 1.00 0.00 N ATOM 86 CA SER A 7 -3.223 7.059 11.740 1.00 0.00 C ATOM 87 C SER A 7 -3.393 6.108 10.552 1.00 0.00 C ATOM 88 O SER A 7 -3.138 6.532 9.417 1.00 0.00 O ATOM 89 CB SER A 7 -2.203 6.495 12.730 1.00 0.00 C ATOM 90 OG SER A 7 -1.957 7.390 13.811 1.00 0.00 O ATOM 0 H SER A 7 -4.536 7.054 13.366 1.00 0.00 H new ATOM 0 HA SER A 7 -2.843 8.020 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.565 5.544 13.122 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.268 6.290 12.209 1.00 0.00 H new ATOM 0 HG SER A 7 -1.302 6.993 14.422 1.00 0.00 H new ATOM 96 N SER A 8 -3.812 4.861 10.835 1.00 0.00 N ATOM 97 CA SER A 8 -4.013 3.864 9.798 1.00 0.00 C ATOM 98 C SER A 8 -4.810 4.482 8.648 1.00 0.00 C ATOM 99 O SER A 8 -4.531 4.144 7.488 1.00 0.00 O ATOM 100 CB SER A 8 -4.735 2.629 10.341 1.00 0.00 C ATOM 101 OG SER A 8 -3.963 1.443 10.177 1.00 0.00 O ATOM 0 H SER A 8 -4.015 4.531 11.779 1.00 0.00 H new ATOM 0 HA SER A 8 -3.037 3.540 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.956 2.774 11.398 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.690 2.513 9.829 1.00 0.00 H new ATOM 0 HG SER A 8 -4.514 0.662 10.392 1.00 0.00 H new ATOM 107 N PHE A 9 -5.771 5.360 8.985 1.00 0.00 N ATOM 108 CA PHE A 9 -6.598 6.017 7.988 1.00 0.00 C ATOM 109 C PHE A 9 -5.703 6.796 7.022 1.00 0.00 C ATOM 110 O PHE A 9 -5.775 6.537 5.812 1.00 0.00 O ATOM 111 CB PHE A 9 -7.593 6.959 8.693 1.00 0.00 C ATOM 112 CG PHE A 9 -8.928 7.122 7.980 1.00 0.00 C ATOM 113 CD1 PHE A 9 -8.995 7.814 6.749 1.00 0.00 C ATOM 114 CD2 PHE A 9 -10.108 6.579 8.540 1.00 0.00 C ATOM 115 CE1 PHE A 9 -10.230 7.963 6.083 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.344 6.728 7.874 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.405 7.421 6.646 1.00 0.00 C ATOM 0 H PHE A 9 -5.986 5.624 9.947 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.162 5.277 7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.777 6.583 9.699 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.131 7.940 8.799 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.097 8.230 6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.063 6.049 9.480 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.276 8.492 5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -12.243 6.312 8.304 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.351 7.536 6.137 1.00 0.00 H new ATOM 127 N GLN A 10 -4.892 7.721 7.567 1.00 0.00 N ATOM 128 CA GLN A 10 -3.994 8.528 6.759 1.00 0.00 C ATOM 129 C GLN A 10 -3.157 7.612 5.864 1.00 0.00 C ATOM 130 O GLN A 10 -3.033 7.909 4.666 1.00 0.00 O ATOM 131 CB GLN A 10 -3.098 9.412 7.629 1.00 0.00 C ATOM 132 CG GLN A 10 -3.570 10.867 7.601 1.00 0.00 C ATOM 133 CD GLN A 10 -3.660 11.441 9.016 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.889 11.106 9.901 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.643 12.321 9.182 1.00 0.00 N ATOM 0 H GLN A 10 -4.849 7.919 8.567 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.589 9.195 6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.104 9.044 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.069 9.353 7.275 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.881 11.465 7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.545 10.928 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.253 12.558 8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.787 12.759 10.092 1.00 0.00 H new ATOM 144 N VAL A 11 -2.609 6.534 6.451 1.00 0.00 N ATOM 145 CA VAL A 11 -1.792 5.585 5.712 1.00 0.00 C ATOM 146 C VAL A 11 -2.579 5.078 4.501 1.00 0.00 C ATOM 147 O VAL A 11 -2.086 5.226 3.373 1.00 0.00 O ATOM 148 CB VAL A 11 -1.330 4.459 6.638 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.631 3.350 5.848 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.422 4.999 7.746 1.00 0.00 C ATOM 0 H VAL A 11 -2.724 6.307 7.439 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.890 6.068 5.336 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.214 4.028 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.313 2.562 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.321 2.936 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.240 3.761 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.107 4.178 8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.456 5.468 7.301 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.967 5.736 8.336 1.00 0.00 H new ATOM 160 N ASP A 12 -3.766 4.498 4.754 1.00 0.00 N ATOM 161 CA ASP A 12 -4.610 3.975 3.693 1.00 0.00 C ATOM 162 C ASP A 12 -4.718 5.014 2.575 1.00 0.00 C ATOM 163 O ASP A 12 -4.598 4.632 1.402 1.00 0.00 O ATOM 164 CB ASP A 12 -6.022 3.683 4.205 1.00 0.00 C ATOM 165 CG ASP A 12 -6.633 2.372 3.704 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.146 1.770 2.736 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.667 1.967 4.360 1.00 0.00 O ATOM 0 H ASP A 12 -4.153 4.385 5.691 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.161 3.051 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.000 3.663 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.675 4.506 3.914 1.00 0.00 H new ATOM 172 N CYS A 13 -4.939 6.286 2.954 1.00 0.00 N ATOM 173 CA CYS A 13 -5.062 7.366 1.989 1.00 0.00 C ATOM 174 C CYS A 13 -3.823 7.386 1.092 1.00 0.00 C ATOM 175 O CYS A 13 -3.983 7.313 -0.135 1.00 0.00 O ATOM 176 CB CYS A 13 -5.281 8.708 2.689 1.00 0.00 C ATOM 177 SG CYS A 13 -6.444 9.823 1.852 1.00 0.00 S ATOM 0 H CYS A 13 -5.034 6.580 3.926 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.939 7.194 1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.644 8.520 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.320 9.213 2.784 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.857 10.956 1.604 1.00 0.00 H new ATOM 183 N PHE A 14 -2.633 7.482 1.711 1.00 0.00 N ATOM 184 CA PHE A 14 -1.381 7.511 0.973 1.00 0.00 C ATOM 185 C PHE A 14 -1.295 6.274 0.076 1.00 0.00 C ATOM 186 O PHE A 14 -0.757 6.388 -1.035 1.00 0.00 O ATOM 187 CB PHE A 14 -0.205 7.547 1.968 1.00 0.00 C ATOM 188 CG PHE A 14 1.166 7.339 1.340 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.816 8.411 0.685 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.801 6.077 1.412 1.00 0.00 C ATOM 191 CE1 PHE A 14 3.089 8.222 0.105 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.074 5.889 0.831 1.00 0.00 C ATOM 193 CZ PHE A 14 3.717 6.961 0.178 1.00 0.00 C ATOM 0 H PHE A 14 -2.524 7.540 2.723 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.335 8.401 0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.212 8.508 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.363 6.779 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.337 9.377 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.311 5.255 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.582 9.043 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.556 4.924 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.691 6.816 -0.266 1.00 0.00 H new ATOM 203 N LEU A 15 -1.816 5.136 0.568 1.00 0.00 N ATOM 204 CA LEU A 15 -1.797 3.892 -0.184 1.00 0.00 C ATOM 205 C LEU A 15 -2.550 4.087 -1.502 1.00 0.00 C ATOM 206 O LEU A 15 -2.021 3.686 -2.549 1.00 0.00 O ATOM 207 CB LEU A 15 -2.337 2.743 0.669 1.00 0.00 C ATOM 208 CG LEU A 15 -1.951 1.333 0.217 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.980 0.304 0.688 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.740 1.281 -1.297 1.00 0.00 C ATOM 0 H LEU A 15 -2.254 5.064 1.486 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.774 3.616 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.990 2.883 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.425 2.812 0.689 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.001 1.074 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.681 -0.689 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.037 0.318 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.957 0.549 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.467 0.268 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.661 1.570 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.942 1.968 -1.577 1.00 0.00 H new ATOM 222 N TRP A 16 -3.751 4.688 -1.426 1.00 0.00 N ATOM 223 CA TRP A 16 -4.566 4.931 -2.605 1.00 0.00 C ATOM 224 C TRP A 16 -3.773 5.779 -3.602 1.00 0.00 C ATOM 225 O TRP A 16 -3.688 5.386 -4.773 1.00 0.00 O ATOM 226 CB TRP A 16 -5.898 5.568 -2.206 1.00 0.00 C ATOM 227 CG TRP A 16 -6.882 5.732 -3.366 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.884 4.915 -3.720 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.917 6.817 -4.317 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.560 5.393 -4.824 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.953 6.586 -5.199 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.100 7.957 -4.427 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.268 7.450 -6.254 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.428 8.810 -5.487 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.467 8.592 -6.384 1.00 0.00 C ATOM 0 H TRP A 16 -4.169 5.011 -0.554 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.810 3.990 -3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.363 4.958 -1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.704 6.546 -1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.131 3.998 -3.206 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.358 4.952 -5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.285 8.158 -3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.084 7.247 -6.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.831 9.701 -5.617 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.656 9.300 -7.178 1.00 0.00 H new ATOM 246 N HIS A 17 -3.216 6.907 -3.123 1.00 0.00 N ATOM 247 CA HIS A 17 -2.438 7.799 -3.967 1.00 0.00 C ATOM 248 C HIS A 17 -1.310 7.009 -4.632 1.00 0.00 C ATOM 249 O HIS A 17 -1.166 7.107 -5.860 1.00 0.00 O ATOM 250 CB HIS A 17 -1.931 9.002 -3.169 1.00 0.00 C ATOM 251 CG HIS A 17 -2.986 10.047 -2.896 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.982 10.085 -1.964 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -3.092 11.216 -3.629 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.657 11.218 -2.119 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -4.108 11.920 -3.150 1.00 0.00 N flip ATOM 0 H HIS A 17 -3.297 7.212 -2.153 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.070 8.206 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.528 8.651 -2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.108 9.465 -3.713 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.175 9.366 -1.267 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.455 11.506 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.503 11.532 -1.525 1.00 0.00 H new ATOM 263 N VAL A 18 -0.544 6.257 -3.823 1.00 0.00 N ATOM 264 CA VAL A 18 0.561 5.460 -4.330 1.00 0.00 C ATOM 265 C VAL A 18 0.047 4.520 -5.424 1.00 0.00 C ATOM 266 O VAL A 18 0.759 4.329 -6.419 1.00 0.00 O ATOM 267 CB VAL A 18 1.244 4.719 -3.179 1.00 0.00 C ATOM 268 CG1 VAL A 18 1.051 3.207 -3.308 1.00 0.00 C ATOM 269 CG2 VAL A 18 2.730 5.078 -3.102 1.00 0.00 C ATOM 0 H VAL A 18 -0.679 6.192 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 18 1.318 6.101 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 18 0.773 5.038 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.546 2.705 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.014 2.973 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.482 2.864 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.192 4.538 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.220 4.801 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.837 6.151 -2.940 1.00 0.00 H new ATOM 279 N ARG A 19 -1.161 3.963 -5.220 1.00 0.00 N ATOM 280 CA ARG A 19 -1.761 3.054 -6.180 1.00 0.00 C ATOM 281 C ARG A 19 -2.055 3.811 -7.477 1.00 0.00 C ATOM 282 O ARG A 19 -1.641 3.334 -8.545 1.00 0.00 O ATOM 283 CB ARG A 19 -3.061 2.447 -5.647 1.00 0.00 C ATOM 284 CG ARG A 19 -3.356 1.106 -6.319 1.00 0.00 C ATOM 285 CD ARG A 19 -4.535 0.401 -5.643 1.00 0.00 C ATOM 286 NE ARG A 19 -4.355 0.413 -4.174 1.00 0.00 N ATOM 287 CZ ARG A 19 -5.369 0.321 -3.287 1.00 0.00 C ATOM 288 NH1 ARG A 19 -6.624 0.211 -3.744 1.00 0.00 N ATOM 289 NH2 ARG A 19 -5.124 0.338 -1.970 1.00 0.00 N ATOM 0 H ARG A 19 -1.732 4.135 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.057 2.242 -6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.986 2.309 -4.568 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.887 3.136 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.579 1.265 -7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.472 0.470 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.468 0.899 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.609 -0.626 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.406 0.496 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.802 0.198 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.401 0.140 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.166 0.421 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.896 0.268 -1.307 1.00 0.00 H new ATOM 303 N LYS A 20 -2.751 4.956 -7.363 1.00 0.00 N ATOM 304 CA LYS A 20 -3.094 5.767 -8.518 1.00 0.00 C ATOM 305 C LYS A 20 -1.827 6.064 -9.323 1.00 0.00 C ATOM 306 O LYS A 20 -1.919 6.155 -10.556 1.00 0.00 O ATOM 307 CB LYS A 20 -3.854 7.022 -8.085 1.00 0.00 C ATOM 308 CG LYS A 20 -2.990 8.273 -8.253 1.00 0.00 C ATOM 309 CD LYS A 20 -3.016 8.766 -9.701 1.00 0.00 C ATOM 310 CE LYS A 20 -1.650 9.312 -10.119 1.00 0.00 C ATOM 311 NZ LYS A 20 -1.732 10.758 -10.384 1.00 0.00 N ATOM 0 H LYS A 20 -3.083 5.332 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.771 5.223 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.764 7.122 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.160 6.925 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.350 9.060 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.964 8.053 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.302 7.948 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.772 9.544 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.919 9.121 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.301 8.792 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.796 11.113 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.414 10.933 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.044 11.252 -9.523 1.00 0.00 H new ATOM 325 N GLN A 21 -0.687 6.206 -8.621 1.00 0.00 N ATOM 326 CA GLN A 21 0.584 6.490 -9.267 1.00 0.00 C ATOM 327 C GLN A 21 1.065 5.239 -10.005 1.00 0.00 C ATOM 328 O GLN A 21 1.616 5.381 -11.107 1.00 0.00 O ATOM 329 CB GLN A 21 1.630 6.969 -8.258 1.00 0.00 C ATOM 330 CG GLN A 21 2.231 8.308 -8.687 1.00 0.00 C ATOM 331 CD GLN A 21 1.695 9.452 -7.822 1.00 0.00 C ATOM 332 OE1 GLN A 21 0.446 9.272 -7.404 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 2.370 10.431 -7.552 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.632 6.126 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 21 0.441 7.298 -9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.172 7.070 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.420 6.224 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.317 8.265 -8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.995 8.498 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.324 10.506 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.981 11.175 -6.972 1.00 0.00 H new ATOM 342 N VAL A 22 0.853 4.059 -9.396 1.00 0.00 N ATOM 343 CA VAL A 22 1.262 2.800 -9.991 1.00 0.00 C ATOM 344 C VAL A 22 0.536 2.611 -11.325 1.00 0.00 C ATOM 345 O VAL A 22 1.216 2.454 -12.349 1.00 0.00 O ATOM 346 CB VAL A 22 1.017 1.653 -9.009 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.864 0.321 -9.749 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.134 1.574 -7.967 1.00 0.00 C ATOM 0 H VAL A 22 0.398 3.964 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 22 2.331 2.807 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 22 0.083 1.856 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.691 -0.478 -9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.019 0.381 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.773 0.111 -10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.935 0.750 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.088 1.407 -8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.177 2.509 -7.408 1.00 0.00 H new ATOM 358 N VAL A 23 -0.809 2.631 -11.287 1.00 0.00 N ATOM 359 CA VAL A 23 -1.616 2.464 -12.482 1.00 0.00 C ATOM 360 C VAL A 23 -1.349 3.628 -13.440 1.00 0.00 C ATOM 361 O VAL A 23 -1.309 3.392 -14.656 1.00 0.00 O ATOM 362 CB VAL A 23 -3.092 2.327 -12.103 1.00 0.00 C ATOM 363 CG1 VAL A 23 -3.909 1.768 -13.269 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.259 1.463 -10.852 1.00 0.00 C ATOM 0 H VAL A 23 -1.350 2.762 -10.432 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.342 1.546 -13.002 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.473 3.323 -11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.954 1.681 -12.972 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.829 2.439 -14.124 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.527 0.785 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.317 1.382 -10.604 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.853 0.469 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.726 1.922 -10.019 1.00 0.00 H new ATOM 374 N ASP A 24 -1.176 4.839 -12.881 1.00 0.00 N ATOM 375 CA ASP A 24 -0.916 6.024 -13.679 1.00 0.00 C ATOM 376 C ASP A 24 0.409 5.852 -14.425 1.00 0.00 C ATOM 377 O ASP A 24 0.768 6.747 -15.204 1.00 0.00 O ATOM 378 CB ASP A 24 -0.802 7.268 -12.795 1.00 0.00 C ATOM 379 CG ASP A 24 -0.275 8.518 -13.504 1.00 0.00 C ATOM 380 OD1 ASP A 24 0.940 8.760 -13.553 1.00 0.00 O ATOM 381 OD2 ASP A 24 -1.182 9.273 -14.025 1.00 0.00 O ATOM 0 H ASP A 24 -1.214 5.010 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.745 6.150 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.784 7.491 -12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.145 7.040 -11.956 1.00 0.00 H new ATOM 386 N GLN A 25 1.098 4.724 -14.175 1.00 0.00 N ATOM 387 CA GLN A 25 2.369 4.440 -14.819 1.00 0.00 C ATOM 388 C GLN A 25 2.250 3.145 -15.624 1.00 0.00 C ATOM 389 O GLN A 25 3.286 2.521 -15.895 1.00 0.00 O ATOM 390 CB GLN A 25 3.506 4.349 -13.800 1.00 0.00 C ATOM 391 CG GLN A 25 4.402 5.588 -13.866 1.00 0.00 C ATOM 392 CD GLN A 25 4.338 6.382 -12.560 1.00 0.00 C ATOM 393 OE1 GLN A 25 4.106 5.845 -11.488 1.00 0.00 O ATOM 394 NE2 GLN A 25 4.554 7.685 -12.706 1.00 0.00 N ATOM 0 H GLN A 25 0.785 4.000 -13.528 1.00 0.00 H new ATOM 0 HA GLN A 25 2.611 5.262 -15.493 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.093 4.248 -12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.100 3.455 -13.992 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.431 5.287 -14.062 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.091 6.222 -14.697 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.743 8.070 -13.631 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.531 8.300 -11.893 1.00 0.00 H new ATOM 403 N GLU A 26 1.010 2.772 -15.985 1.00 0.00 N ATOM 404 CA GLU A 26 0.761 1.563 -16.753 1.00 0.00 C ATOM 405 C GLU A 26 1.750 0.478 -16.321 1.00 0.00 C ATOM 406 O GLU A 26 2.256 -0.239 -17.196 1.00 0.00 O ATOM 407 CB GLU A 26 0.854 1.822 -18.258 1.00 0.00 C ATOM 408 CG GLU A 26 2.307 1.763 -18.735 1.00 0.00 C ATOM 409 CD GLU A 26 2.594 2.866 -19.756 1.00 0.00 C ATOM 410 OE1 GLU A 26 1.828 3.036 -20.717 1.00 0.00 O ATOM 411 OE2 GLU A 26 3.655 3.562 -19.523 1.00 0.00 O ATOM 0 H GLU A 26 0.169 3.300 -15.751 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.256 1.225 -16.553 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.261 1.082 -18.795 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.431 2.799 -18.489 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.978 1.868 -17.882 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.508 0.789 -19.181 1.00 0.00 H new ATOM 418 N LEU A 27 2.001 0.382 -15.003 1.00 0.00 N ATOM 419 CA LEU A 27 2.920 -0.607 -14.464 1.00 0.00 C ATOM 420 C LEU A 27 2.141 -1.613 -13.616 1.00 0.00 C ATOM 421 O LEU A 27 2.779 -2.428 -12.933 1.00 0.00 O ATOM 422 CB LEU A 27 4.062 0.079 -13.711 1.00 0.00 C ATOM 423 CG LEU A 27 3.832 0.319 -12.218 1.00 0.00 C ATOM 424 CD1 LEU A 27 4.649 -0.658 -11.373 1.00 0.00 C ATOM 425 CD2 LEU A 27 4.118 1.776 -11.847 1.00 0.00 C ATOM 0 H LEU A 27 1.574 0.984 -14.299 1.00 0.00 H new ATOM 0 HA LEU A 27 3.392 -1.169 -15.270 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.962 -0.525 -13.827 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.259 1.040 -14.187 1.00 0.00 H new ATOM 0 HG LEU A 27 2.781 0.131 -12.000 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.467 -0.465 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.354 -1.680 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.709 -0.527 -11.588 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.947 1.920 -10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.155 2.015 -12.084 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.456 2.432 -12.412 1.00 0.00 H new ATOM 437 N GLY A 28 0.799 -1.538 -13.675 1.00 0.00 N ATOM 438 CA GLY A 28 -0.056 -2.436 -12.917 1.00 0.00 C ATOM 439 C GLY A 28 -0.345 -3.684 -13.753 1.00 0.00 C ATOM 440 O GLY A 28 0.600 -4.231 -14.342 1.00 0.00 O ATOM 0 H GLY A 28 0.293 -0.859 -14.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.429 -2.715 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.988 -1.935 -12.656 1.00 0.00 H new ATOM 444 N ASP A 29 -1.622 -4.104 -13.788 1.00 0.00 N ATOM 445 CA ASP A 29 -2.027 -5.275 -14.546 1.00 0.00 C ATOM 446 C ASP A 29 -3.484 -5.115 -14.985 1.00 0.00 C ATOM 447 O ASP A 29 -3.729 -5.035 -16.198 1.00 0.00 O ATOM 448 CB ASP A 29 -1.927 -6.543 -13.694 1.00 0.00 C ATOM 449 CG ASP A 29 -1.656 -6.304 -12.208 1.00 0.00 C ATOM 450 OD1 ASP A 29 -2.143 -5.327 -11.619 1.00 0.00 O ATOM 451 OD2 ASP A 29 -0.901 -7.183 -11.642 1.00 0.00 O ATOM 0 H ASP A 29 -2.385 -3.640 -13.295 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.365 -5.365 -15.407 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.857 -7.103 -13.793 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.132 -7.171 -14.096 1.00 0.00 H new ATOM 456 N ALA A 30 -4.407 -5.071 -14.007 1.00 0.00 N ATOM 457 CA ALA A 30 -5.824 -4.921 -14.292 1.00 0.00 C ATOM 458 C ALA A 30 -6.607 -4.928 -12.977 1.00 0.00 C ATOM 459 O ALA A 30 -7.565 -4.150 -12.858 1.00 0.00 O ATOM 460 CB ALA A 30 -6.319 -6.128 -15.092 1.00 0.00 C ATOM 0 H ALA A 30 -4.184 -5.138 -13.014 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.969 -3.992 -14.844 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.382 -6.013 -15.304 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.767 -6.194 -16.029 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.161 -7.038 -14.513 1.00 0.00 H new ATOM 466 N PRO A 31 -6.191 -5.791 -12.033 1.00 0.00 N ATOM 467 CA PRO A 31 -6.824 -5.922 -10.732 1.00 0.00 C ATOM 468 C PRO A 31 -6.460 -4.746 -9.824 1.00 0.00 C ATOM 469 O PRO A 31 -7.191 -4.501 -8.854 1.00 0.00 O ATOM 470 CB PRO A 31 -6.342 -7.259 -10.193 1.00 0.00 C ATOM 471 CG PRO A 31 -5.101 -7.610 -10.999 1.00 0.00 C ATOM 472 CD PRO A 31 -5.057 -6.694 -12.210 1.00 0.00 C ATOM 0 HA PRO A 31 -7.912 -5.899 -10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.111 -7.191 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.110 -8.025 -10.304 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.204 -7.484 -10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.131 -8.654 -11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.117 -6.145 -12.257 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.142 -7.260 -13.138 1.00 0.00 H new ATOM 480 N PHE A 32 -5.355 -4.052 -10.152 1.00 0.00 N ATOM 481 CA PHE A 32 -4.902 -2.913 -9.371 1.00 0.00 C ATOM 482 C PHE A 32 -5.805 -1.712 -9.658 1.00 0.00 C ATOM 483 O PHE A 32 -6.127 -0.976 -8.714 1.00 0.00 O ATOM 484 CB PHE A 32 -3.439 -2.597 -9.736 1.00 0.00 C ATOM 485 CG PHE A 32 -2.456 -2.710 -8.579 1.00 0.00 C ATOM 486 CD1 PHE A 32 -2.469 -3.849 -7.740 1.00 0.00 C ATOM 487 CD2 PHE A 32 -1.530 -1.672 -8.332 1.00 0.00 C ATOM 488 CE1 PHE A 32 -1.559 -3.949 -6.666 1.00 0.00 C ATOM 489 CE2 PHE A 32 -0.620 -1.773 -7.258 1.00 0.00 C ATOM 490 CZ PHE A 32 -0.634 -2.910 -6.425 1.00 0.00 C ATOM 0 H PHE A 32 -4.766 -4.270 -10.956 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.955 -3.142 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.123 -3.273 -10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.390 -1.586 -10.139 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.177 -4.644 -7.922 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.518 -0.798 -8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.570 -4.821 -6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.088 -0.978 -7.074 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.062 -2.986 -5.603 1.00 0.00 H new ATOM 500 N LEU A 33 -6.189 -1.539 -10.936 1.00 0.00 N ATOM 501 CA LEU A 33 -7.047 -0.437 -11.340 1.00 0.00 C ATOM 502 C LEU A 33 -8.479 -0.716 -10.879 1.00 0.00 C ATOM 503 O LEU A 33 -9.130 0.216 -10.384 1.00 0.00 O ATOM 504 CB LEU A 33 -6.922 -0.186 -12.844 1.00 0.00 C ATOM 505 CG LEU A 33 -7.653 1.047 -13.381 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.611 2.193 -12.368 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.095 1.465 -14.742 1.00 0.00 C ATOM 0 H LEU A 33 -5.912 -2.156 -11.700 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.732 0.489 -10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.864 -0.093 -13.090 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.296 -1.064 -13.371 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.701 0.786 -13.529 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.137 3.057 -12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.091 1.878 -11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.574 2.462 -12.166 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.632 2.343 -15.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.036 1.702 -14.644 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.219 0.648 -15.453 1.00 0.00 H new ATOM 519 N ASP A 34 -8.933 -1.970 -11.049 1.00 0.00 N ATOM 520 CA ASP A 34 -10.274 -2.363 -10.652 1.00 0.00 C ATOM 521 C ASP A 34 -10.434 -2.170 -9.143 1.00 0.00 C ATOM 522 O ASP A 34 -11.446 -1.588 -8.727 1.00 0.00 O ATOM 523 CB ASP A 34 -10.532 -3.838 -10.969 1.00 0.00 C ATOM 524 CG ASP A 34 -11.925 -4.346 -10.593 1.00 0.00 C ATOM 525 OD1 ASP A 34 -12.726 -3.448 -10.127 1.00 0.00 O ATOM 526 OD2 ASP A 34 -12.229 -5.540 -10.735 1.00 0.00 O ATOM 0 H ASP A 34 -8.381 -2.722 -11.461 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.982 -1.745 -11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.380 -3.997 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.789 -4.441 -10.448 1.00 0.00 H new ATOM 531 N ARG A 35 -9.446 -2.651 -8.367 1.00 0.00 N ATOM 532 CA ARG A 35 -9.477 -2.531 -6.919 1.00 0.00 C ATOM 533 C ARG A 35 -9.236 -1.073 -6.527 1.00 0.00 C ATOM 534 O ARG A 35 -9.741 -0.653 -5.476 1.00 0.00 O ATOM 535 CB ARG A 35 -8.416 -3.413 -6.258 1.00 0.00 C ATOM 536 CG ARG A 35 -7.121 -2.631 -6.026 1.00 0.00 C ATOM 537 CD ARG A 35 -6.020 -3.544 -5.481 1.00 0.00 C ATOM 538 NE ARG A 35 -6.411 -4.961 -5.643 1.00 0.00 N ATOM 539 CZ ARG A 35 -6.823 -5.753 -4.629 1.00 0.00 C ATOM 540 NH1 ARG A 35 -6.888 -5.244 -3.392 1.00 0.00 N ATOM 541 NH2 ARG A 35 -7.160 -7.030 -4.859 1.00 0.00 N ATOM 0 H ARG A 35 -8.619 -3.126 -8.730 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.456 -2.862 -6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.792 -3.791 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.214 -4.279 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.793 -2.178 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.304 -1.817 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.085 -3.354 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.843 -3.325 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.367 -5.365 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.628 -4.272 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.197 -5.829 -2.616 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.106 -7.409 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.470 -7.622 -4.089 1.00 0.00 H new ATOM 555 N LEU A 36 -8.480 -0.341 -7.366 1.00 0.00 N ATOM 556 CA LEU A 36 -8.177 1.056 -7.108 1.00 0.00 C ATOM 557 C LEU A 36 -9.469 1.874 -7.167 1.00 0.00 C ATOM 558 O LEU A 36 -9.761 2.586 -6.195 1.00 0.00 O ATOM 559 CB LEU A 36 -7.090 1.553 -8.063 1.00 0.00 C ATOM 560 CG LEU A 36 -6.877 3.069 -8.108 1.00 0.00 C ATOM 561 CD1 LEU A 36 -5.671 3.477 -7.261 1.00 0.00 C ATOM 562 CD2 LEU A 36 -6.759 3.563 -9.550 1.00 0.00 C ATOM 0 H LEU A 36 -8.073 -0.706 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.768 1.178 -6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.147 1.082 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.333 1.210 -9.069 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.753 3.551 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.541 4.558 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.835 3.177 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.776 2.987 -7.643 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.608 4.643 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.911 3.077 -10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.673 3.322 -10.093 1.00 0.00 H new ATOM 574 N ARG A 37 -10.203 1.758 -8.288 1.00 0.00 N ATOM 575 CA ARG A 37 -11.450 2.481 -8.469 1.00 0.00 C ATOM 576 C ARG A 37 -12.444 2.055 -7.385 1.00 0.00 C ATOM 577 O ARG A 37 -13.073 2.937 -6.782 1.00 0.00 O ATOM 578 CB ARG A 37 -12.062 2.214 -9.845 1.00 0.00 C ATOM 579 CG ARG A 37 -13.086 1.079 -9.780 1.00 0.00 C ATOM 580 CD ARG A 37 -13.692 0.806 -11.158 1.00 0.00 C ATOM 581 NE ARG A 37 -15.105 0.390 -11.017 1.00 0.00 N ATOM 582 CZ ARG A 37 -16.117 0.883 -11.762 1.00 0.00 C ATOM 583 NH1 ARG A 37 -15.848 1.807 -12.694 1.00 0.00 N ATOM 584 NH2 ARG A 37 -17.373 0.454 -11.573 1.00 0.00 N ATOM 0 H ARG A 37 -9.943 1.166 -9.077 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.236 3.547 -8.394 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.541 3.120 -10.215 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.274 1.958 -10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.608 0.175 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.877 1.338 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.628 1.701 -11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.124 0.027 -11.666 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.328 -0.313 -10.313 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.890 2.128 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.601 2.190 -13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.570 -0.250 -10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.132 0.832 -12.140 1.00 0.00 H new ATOM 598 N ARG A 38 -12.563 0.734 -7.164 1.00 0.00 N ATOM 599 CA ARG A 38 -13.472 0.200 -6.163 1.00 0.00 C ATOM 600 C ARG A 38 -13.061 0.715 -4.782 1.00 0.00 C ATOM 601 O ARG A 38 -13.954 0.983 -3.964 1.00 0.00 O ATOM 602 CB ARG A 38 -13.463 -1.330 -6.153 1.00 0.00 C ATOM 603 CG ARG A 38 -14.204 -1.874 -4.930 1.00 0.00 C ATOM 604 CD ARG A 38 -14.260 -3.403 -4.959 1.00 0.00 C ATOM 605 NE ARG A 38 -14.709 -3.918 -3.646 1.00 0.00 N ATOM 606 CZ ARG A 38 -14.911 -5.225 -3.374 1.00 0.00 C ATOM 607 NH1 ARG A 38 -14.697 -6.130 -4.340 1.00 0.00 N ATOM 608 NH2 ARG A 38 -15.318 -5.612 -2.158 1.00 0.00 N ATOM 0 H ARG A 38 -12.035 0.024 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.480 0.532 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.930 -1.706 -7.063 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.435 -1.691 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.704 -1.542 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.216 -1.470 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.942 -3.735 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.277 -3.807 -5.200 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.876 -3.243 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.386 -5.827 -5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.845 -7.122 -4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.478 -4.917 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.468 -6.602 -1.961 1.00 0.00 H new ATOM 622 N ASP A 39 -11.742 0.840 -4.553 1.00 0.00 N ATOM 623 CA ASP A 39 -11.222 1.317 -3.284 1.00 0.00 C ATOM 624 C ASP A 39 -11.573 2.797 -3.118 1.00 0.00 C ATOM 625 O ASP A 39 -11.814 3.222 -1.979 1.00 0.00 O ATOM 626 CB ASP A 39 -9.699 1.183 -3.227 1.00 0.00 C ATOM 627 CG ASP A 39 -9.058 1.651 -1.919 1.00 0.00 C ATOM 628 OD1 ASP A 39 -9.344 2.860 -1.572 1.00 0.00 O ATOM 629 OD2 ASP A 39 -8.321 0.897 -1.264 1.00 0.00 O ATOM 0 H ASP A 39 -11.024 0.613 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.667 0.716 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.435 0.138 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.268 1.753 -4.050 1.00 0.00 H new ATOM 634 N GLN A 40 -11.594 3.540 -4.240 1.00 0.00 N ATOM 635 CA GLN A 40 -11.914 4.958 -4.218 1.00 0.00 C ATOM 636 C GLN A 40 -13.314 5.153 -3.633 1.00 0.00 C ATOM 637 O GLN A 40 -13.440 5.868 -2.629 1.00 0.00 O ATOM 638 CB GLN A 40 -11.811 5.577 -5.613 1.00 0.00 C ATOM 639 CG GLN A 40 -12.202 7.057 -5.585 1.00 0.00 C ATOM 640 CD GLN A 40 -10.973 7.945 -5.380 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.342 7.738 -4.227 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -10.621 8.764 -6.212 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.391 3.171 -5.169 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.188 5.471 -3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.792 5.473 -5.987 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.460 5.038 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.696 7.324 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.919 7.232 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.151 8.872 -7.077 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.797 9.341 -6.043 1.00 0.00 H new ATOM 651 N LYS A 41 -14.323 4.523 -4.263 1.00 0.00 N ATOM 652 CA LYS A 41 -15.699 4.626 -3.807 1.00 0.00 C ATOM 653 C LYS A 41 -15.769 4.265 -2.322 1.00 0.00 C ATOM 654 O LYS A 41 -16.451 4.981 -1.574 1.00 0.00 O ATOM 655 CB LYS A 41 -16.620 3.782 -4.690 1.00 0.00 C ATOM 656 CG LYS A 41 -17.544 4.670 -5.525 1.00 0.00 C ATOM 657 CD LYS A 41 -18.935 4.761 -4.893 1.00 0.00 C ATOM 658 CE LYS A 41 -18.916 5.657 -3.654 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.137 6.477 -3.592 1.00 0.00 N ATOM 0 H LYS A 41 -14.198 3.939 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.056 5.651 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.022 3.153 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.216 3.115 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.114 5.668 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.625 4.268 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.644 5.156 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.280 3.764 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.836 5.044 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.038 6.303 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.108 7.079 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.197 7.075 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.970 5.856 -3.547 1.00 0.00 H new ATOM 673 N SER A 42 -15.074 3.183 -1.933 1.00 0.00 N ATOM 674 CA SER A 42 -15.059 2.734 -0.550 1.00 0.00 C ATOM 675 C SER A 42 -14.412 3.811 0.324 1.00 0.00 C ATOM 676 O SER A 42 -14.877 4.009 1.455 1.00 0.00 O ATOM 677 CB SER A 42 -14.309 1.408 -0.400 1.00 0.00 C ATOM 678 OG SER A 42 -14.688 0.711 0.784 1.00 0.00 O ATOM 0 H SER A 42 -14.517 2.609 -2.566 1.00 0.00 H new ATOM 0 HA SER A 42 -16.087 2.567 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.506 0.780 -1.269 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.236 1.599 -0.381 1.00 0.00 H new ATOM 0 HG SER A 42 -14.189 -0.130 0.842 1.00 0.00 H new ATOM 684 N LEU A 43 -13.371 4.474 -0.209 1.00 0.00 N ATOM 685 CA LEU A 43 -12.671 5.520 0.516 1.00 0.00 C ATOM 686 C LEU A 43 -13.622 6.694 0.755 1.00 0.00 C ATOM 687 O LEU A 43 -13.958 6.953 1.920 1.00 0.00 O ATOM 688 CB LEU A 43 -11.384 5.910 -0.214 1.00 0.00 C ATOM 689 CG LEU A 43 -10.170 6.199 0.672 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.931 6.494 -0.174 1.00 0.00 C ATOM 691 CD2 LEU A 43 -10.470 7.327 1.662 1.00 0.00 C ATOM 0 H LEU A 43 -13.003 4.295 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.357 5.159 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.123 5.106 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.586 6.794 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.954 5.305 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.083 6.696 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.707 5.633 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.119 7.364 -0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.591 7.512 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.726 8.234 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.307 7.039 2.299 1.00 0.00 H new ATOM 703 N ARG A 44 -14.031 7.369 -0.334 1.00 0.00 N ATOM 704 CA ARG A 44 -14.935 8.503 -0.242 1.00 0.00 C ATOM 705 C ARG A 44 -16.010 8.209 0.805 1.00 0.00 C ATOM 706 O ARG A 44 -16.380 9.132 1.546 1.00 0.00 O ATOM 707 CB ARG A 44 -15.606 8.798 -1.585 1.00 0.00 C ATOM 708 CG ARG A 44 -16.048 10.260 -1.667 1.00 0.00 C ATOM 709 CD ARG A 44 -16.040 10.754 -3.115 1.00 0.00 C ATOM 710 NE ARG A 44 -15.047 11.841 -3.273 1.00 0.00 N ATOM 711 CZ ARG A 44 -15.318 13.038 -3.835 1.00 0.00 C ATOM 712 NH1 ARG A 44 -16.558 13.279 -4.285 1.00 0.00 N ATOM 713 NH2 ARG A 44 -14.363 13.971 -3.942 1.00 0.00 N ATOM 0 H ARG A 44 -13.743 7.139 -1.285 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.352 9.378 0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.914 8.577 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.469 8.145 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.049 10.365 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.384 10.879 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.800 9.931 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.032 11.113 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.099 11.675 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.280 12.563 -4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.780 14.178 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.422 13.780 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -14.577 14.873 -4.368 1.00 0.00 H new ATOM 727 N GLY A 45 -16.484 6.951 0.846 1.00 0.00 N ATOM 728 CA GLY A 45 -17.506 6.544 1.794 1.00 0.00 C ATOM 729 C GLY A 45 -16.961 6.684 3.217 1.00 0.00 C ATOM 730 O GLY A 45 -17.517 7.482 3.985 1.00 0.00 O ATOM 0 H GLY A 45 -16.167 6.205 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.397 7.159 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.803 5.512 1.606 1.00 0.00 H new ATOM 734 N ARG A 46 -15.902 5.917 3.535 1.00 0.00 N ATOM 735 CA ARG A 46 -15.292 5.956 4.853 1.00 0.00 C ATOM 736 C ARG A 46 -14.898 7.397 5.185 1.00 0.00 C ATOM 737 O ARG A 46 -15.458 7.956 6.140 1.00 0.00 O ATOM 738 CB ARG A 46 -14.050 5.066 4.924 1.00 0.00 C ATOM 739 CG ARG A 46 -14.426 3.629 5.293 1.00 0.00 C ATOM 740 CD ARG A 46 -13.184 2.735 5.348 1.00 0.00 C ATOM 741 NE ARG A 46 -12.382 2.908 4.117 1.00 0.00 N ATOM 742 CZ ARG A 46 -11.898 1.887 3.379 1.00 0.00 C ATOM 743 NH1 ARG A 46 -12.150 0.628 3.767 1.00 0.00 N ATOM 744 NH2 ARG A 46 -11.177 2.126 2.275 1.00 0.00 N ATOM 0 H ARG A 46 -15.459 5.265 2.887 1.00 0.00 H new ATOM 0 HA ARG A 46 -16.019 5.583 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.536 5.076 3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.354 5.465 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.930 3.618 6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.131 3.234 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.583 2.986 6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.481 1.692 5.455 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.182 3.859 3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.700 0.454 4.608 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.792 -0.155 3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.990 3.086 1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.815 1.348 1.724 1.00 0.00 H new ATOM 758 N GLY A 47 -13.958 7.960 4.405 1.00 0.00 N ATOM 759 CA GLY A 47 -13.497 9.321 4.615 1.00 0.00 C ATOM 760 C GLY A 47 -14.695 10.218 4.935 1.00 0.00 C ATOM 761 O GLY A 47 -14.711 10.817 6.019 1.00 0.00 O ATOM 0 H GLY A 47 -13.509 7.482 3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.777 9.351 5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.984 9.685 3.725 1.00 0.00 H new ATOM 765 N SER A 48 -15.659 10.291 4.000 1.00 0.00 N ATOM 766 CA SER A 48 -16.848 11.107 4.181 1.00 0.00 C ATOM 767 C SER A 48 -17.360 10.942 5.615 1.00 0.00 C ATOM 768 O SER A 48 -17.462 11.954 6.323 1.00 0.00 O ATOM 769 CB SER A 48 -17.943 10.731 3.182 1.00 0.00 C ATOM 770 OG SER A 48 -17.697 11.280 1.890 1.00 0.00 O ATOM 0 H SER A 48 -15.627 9.789 3.113 1.00 0.00 H new ATOM 0 HA SER A 48 -16.584 12.149 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.010 9.646 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 48 -18.906 11.085 3.549 1.00 0.00 H new ATOM 0 HG SER A 48 -16.992 10.765 1.444 1.00 0.00 H new ATOM 776 N THR A 49 -17.665 9.692 6.006 1.00 0.00 N ATOM 777 CA THR A 49 -18.160 9.402 7.341 1.00 0.00 C ATOM 778 C THR A 49 -17.390 10.246 8.360 1.00 0.00 C ATOM 779 O THR A 49 -18.036 10.911 9.182 1.00 0.00 O ATOM 780 CB THR A 49 -18.045 7.897 7.588 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.679 7.310 6.455 1.00 0.00 O ATOM 782 CG2 THR A 49 -18.896 7.432 8.772 1.00 0.00 C ATOM 0 H THR A 49 -17.573 8.872 5.406 1.00 0.00 H new ATOM 0 HA THR A 49 -19.212 9.669 7.446 1.00 0.00 H new ATOM 0 HB THR A 49 -17.001 7.637 7.765 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.004 7.089 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 49 -18.779 6.356 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 49 -18.573 7.946 9.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.944 7.661 8.579 1.00 0.00 H new ATOM 790 N LEU A 50 -16.048 10.202 8.286 1.00 0.00 N ATOM 791 CA LEU A 50 -15.202 10.957 9.195 1.00 0.00 C ATOM 792 C LEU A 50 -15.322 12.449 8.876 1.00 0.00 C ATOM 793 O LEU A 50 -15.568 13.232 9.805 1.00 0.00 O ATOM 794 CB LEU A 50 -13.766 10.432 9.151 1.00 0.00 C ATOM 795 CG LEU A 50 -13.208 9.893 10.469 1.00 0.00 C ATOM 796 CD1 LEU A 50 -12.237 8.737 10.221 1.00 0.00 C ATOM 797 CD2 LEU A 50 -12.568 11.012 11.293 1.00 0.00 C ATOM 0 H LEU A 50 -15.536 9.647 7.601 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.534 10.823 10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.713 9.638 8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.116 11.237 8.807 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.038 9.497 11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.855 8.372 11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.757 7.929 9.705 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.407 9.085 9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.179 10.601 12.225 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.752 11.460 10.726 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.316 11.773 11.516 1.00 0.00 H new ATOM 809 N GLY A 51 -15.149 12.806 7.591 1.00 0.00 N ATOM 810 CA GLY A 51 -15.237 14.189 7.158 1.00 0.00 C ATOM 811 C GLY A 51 -13.845 14.824 7.206 1.00 0.00 C ATOM 812 O GLY A 51 -13.761 16.043 7.412 1.00 0.00 O ATOM 0 H GLY A 51 -14.947 12.145 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.638 14.240 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.923 14.740 7.801 1.00 0.00 H new ATOM 816 N LEU A 52 -12.801 13.999 7.017 1.00 0.00 N ATOM 817 CA LEU A 52 -11.429 14.477 7.038 1.00 0.00 C ATOM 818 C LEU A 52 -11.050 14.989 5.646 1.00 0.00 C ATOM 819 O LEU A 52 -11.936 15.059 4.782 1.00 0.00 O ATOM 820 CB LEU A 52 -10.492 13.390 7.569 1.00 0.00 C ATOM 821 CG LEU A 52 -10.835 11.954 7.169 1.00 0.00 C ATOM 822 CD1 LEU A 52 -10.622 11.737 5.669 1.00 0.00 C ATOM 823 CD2 LEU A 52 -10.047 10.948 8.010 1.00 0.00 C ATOM 0 H LEU A 52 -12.893 12.997 6.848 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.329 15.317 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.481 13.610 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.479 13.450 8.657 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.893 11.786 7.372 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.873 10.708 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.262 12.418 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.579 11.930 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.309 9.935 7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.979 11.107 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.290 11.085 9.064 1.00 0.00 H new ATOM 835 N ASN A 53 -9.763 15.331 5.461 1.00 0.00 N ATOM 836 CA ASN A 53 -9.275 15.832 4.188 1.00 0.00 C ATOM 837 C ASN A 53 -8.406 14.762 3.522 1.00 0.00 C ATOM 838 O ASN A 53 -7.191 14.751 3.772 1.00 0.00 O ATOM 839 CB ASN A 53 -8.418 17.086 4.379 1.00 0.00 C ATOM 840 CG ASN A 53 -8.192 17.804 3.048 1.00 0.00 C ATOM 841 OD1 ASN A 53 -7.102 18.249 2.730 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.281 17.893 2.289 1.00 0.00 N ATOM 0 H ASN A 53 -9.049 15.265 6.186 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.139 16.077 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.906 17.761 5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.458 16.811 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.233 18.355 1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.163 17.499 2.615 1.00 0.00 H new ATOM 849 N ILE A 54 -9.034 13.899 2.704 1.00 0.00 N ATOM 850 CA ILE A 54 -8.323 12.838 2.013 1.00 0.00 C ATOM 851 C ILE A 54 -6.989 13.378 1.492 1.00 0.00 C ATOM 852 O ILE A 54 -6.007 12.621 1.490 1.00 0.00 O ATOM 853 CB ILE A 54 -9.204 12.223 0.924 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.845 10.921 1.408 1.00 0.00 C ATOM 855 CG2 ILE A 54 -8.418 12.027 -0.373 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.577 11.131 2.735 1.00 0.00 C ATOM 0 H ILE A 54 -10.036 13.926 2.513 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.092 12.025 2.701 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.014 12.920 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.544 10.555 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.078 10.156 1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.068 11.588 -1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.050 12.991 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.574 11.362 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.024 10.190 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.870 11.474 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.360 11.878 2.605 1.00 0.00 H new ATOM 868 N GLU A 55 -6.981 14.654 1.068 1.00 0.00 N ATOM 869 CA GLU A 55 -5.779 15.285 0.551 1.00 0.00 C ATOM 870 C GLU A 55 -4.708 15.304 1.643 1.00 0.00 C ATOM 871 O GLU A 55 -3.689 14.616 1.483 1.00 0.00 O ATOM 872 CB GLU A 55 -6.063 16.698 0.037 1.00 0.00 C ATOM 873 CG GLU A 55 -4.944 17.180 -0.888 1.00 0.00 C ATOM 874 CD GLU A 55 -5.067 16.546 -2.275 1.00 0.00 C ATOM 875 OE1 GLU A 55 -6.258 16.547 -2.771 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.064 16.079 -2.834 1.00 0.00 O ATOM 0 H GLU A 55 -7.801 15.260 1.078 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.417 14.705 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.013 16.710 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.163 17.382 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.983 18.266 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.976 16.930 -0.454 1.00 0.00 H new ATOM 883 N ALA A 56 -4.953 16.081 2.715 1.00 0.00 N ATOM 884 CA ALA A 56 -4.016 16.186 3.820 1.00 0.00 C ATOM 885 C ALA A 56 -3.645 14.782 4.303 1.00 0.00 C ATOM 886 O ALA A 56 -2.449 14.526 4.505 1.00 0.00 O ATOM 887 CB ALA A 56 -4.692 16.882 5.002 1.00 0.00 C ATOM 0 H ALA A 56 -5.798 16.642 2.828 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.141 16.740 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.987 16.960 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.011 17.880 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.560 16.303 5.317 1.00 0.00 H new ATOM 893 N ALA A 57 -4.659 13.917 4.476 1.00 0.00 N ATOM 894 CA ALA A 57 -4.440 12.554 4.930 1.00 0.00 C ATOM 895 C ALA A 57 -3.276 11.941 4.149 1.00 0.00 C ATOM 896 O ALA A 57 -2.229 11.680 4.759 1.00 0.00 O ATOM 897 CB ALA A 57 -5.669 11.700 4.610 1.00 0.00 C ATOM 0 H ALA A 57 -5.637 14.149 4.305 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.240 12.576 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.501 10.679 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.541 12.113 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.841 11.699 3.534 1.00 0.00 H new ATOM 903 N THR A 58 -3.478 11.726 2.837 1.00 0.00 N ATOM 904 CA THR A 58 -2.454 11.150 1.984 1.00 0.00 C ATOM 905 C THR A 58 -1.148 11.928 2.167 1.00 0.00 C ATOM 906 O THR A 58 -0.078 11.339 1.956 1.00 0.00 O ATOM 907 CB THR A 58 -2.963 11.149 0.541 1.00 0.00 C ATOM 908 OG1 THR A 58 -1.939 10.477 -0.188 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.995 12.551 -0.069 1.00 0.00 C ATOM 0 H THR A 58 -4.349 11.948 2.354 1.00 0.00 H new ATOM 0 HA THR A 58 -2.242 10.115 2.254 1.00 0.00 H new ATOM 0 HB THR A 58 -3.963 10.716 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.473 11.118 -0.764 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.364 12.494 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.655 13.189 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.989 12.971 -0.068 1.00 0.00 H new ATOM 917 N HIS A 59 -1.260 13.212 2.549 1.00 0.00 N ATOM 918 CA HIS A 59 -0.097 14.058 2.757 1.00 0.00 C ATOM 919 C HIS A 59 0.677 13.561 3.980 1.00 0.00 C ATOM 920 O HIS A 59 1.879 13.291 3.846 1.00 0.00 O ATOM 921 CB HIS A 59 -0.503 15.528 2.869 1.00 0.00 C ATOM 922 CG HIS A 59 0.311 16.458 2.002 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.707 16.130 0.717 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.799 17.708 2.248 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.402 17.144 0.222 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.457 18.121 1.172 1.00 0.00 N ATOM 0 H HIS A 59 -2.152 13.677 2.718 1.00 0.00 H new ATOM 0 HA HIS A 59 0.566 13.994 1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.555 15.625 2.600 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.409 15.842 3.909 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.671 18.267 3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.847 17.189 -0.761 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.927 19.021 1.072 1.00 0.00 H new ATOM 934 N VAL A 60 -0.015 13.452 5.127 1.00 0.00 N ATOM 935 CA VAL A 60 0.604 12.992 6.360 1.00 0.00 C ATOM 936 C VAL A 60 1.132 11.570 6.159 1.00 0.00 C ATOM 937 O VAL A 60 2.218 11.266 6.674 1.00 0.00 O ATOM 938 CB VAL A 60 -0.390 13.104 7.518 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.185 11.973 8.526 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.287 14.471 8.198 1.00 0.00 C ATOM 0 H VAL A 60 -1.005 13.679 5.215 1.00 0.00 H new ATOM 0 HA VAL A 60 1.455 13.621 6.619 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.396 13.009 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.904 12.076 9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.332 11.013 8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.827 12.023 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.004 14.525 9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.721 14.608 8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.505 15.255 7.473 1.00 0.00 H new ATOM 950 N GLY A 61 0.364 10.740 5.430 1.00 0.00 N ATOM 951 CA GLY A 61 0.753 9.364 5.167 1.00 0.00 C ATOM 952 C GLY A 61 2.106 9.348 4.455 1.00 0.00 C ATOM 953 O GLY A 61 2.987 8.585 4.878 1.00 0.00 O ATOM 0 H GLY A 61 -0.529 11.009 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.814 8.807 6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.000 8.872 4.552 1.00 0.00 H new ATOM 957 N LYS A 62 2.245 10.177 3.405 1.00 0.00 N ATOM 958 CA LYS A 62 3.481 10.257 2.643 1.00 0.00 C ATOM 959 C LYS A 62 4.636 10.588 3.589 1.00 0.00 C ATOM 960 O LYS A 62 5.743 10.074 3.369 1.00 0.00 O ATOM 961 CB LYS A 62 3.332 11.244 1.483 1.00 0.00 C ATOM 962 CG LYS A 62 4.487 11.100 0.490 1.00 0.00 C ATOM 963 CD LYS A 62 5.538 12.190 0.709 1.00 0.00 C ATOM 964 CE LYS A 62 4.886 13.573 0.781 1.00 0.00 C ATOM 965 NZ LYS A 62 5.767 14.589 0.182 1.00 0.00 N ATOM 0 H LYS A 62 1.508 10.799 3.073 1.00 0.00 H new ATOM 0 HA LYS A 62 3.710 9.295 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.385 11.071 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.304 12.263 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.947 10.118 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.105 11.158 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.085 11.993 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.265 12.168 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.930 13.559 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.678 13.830 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.310 15.522 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.670 14.614 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.944 14.351 -0.815 1.00 0.00 H new ATOM 979 N GLN A 63 4.363 11.425 4.605 1.00 0.00 N ATOM 980 CA GLN A 63 5.372 11.819 5.573 1.00 0.00 C ATOM 981 C GLN A 63 5.658 10.645 6.511 1.00 0.00 C ATOM 982 O GLN A 63 6.819 10.484 6.917 1.00 0.00 O ATOM 983 CB GLN A 63 4.944 13.059 6.361 1.00 0.00 C ATOM 984 CG GLN A 63 5.624 14.316 5.816 1.00 0.00 C ATOM 985 CD GLN A 63 4.588 15.371 5.419 1.00 0.00 C ATOM 986 OE1 GLN A 63 4.663 15.987 4.369 1.00 0.00 O ATOM 987 NE2 GLN A 63 3.621 15.544 6.316 1.00 0.00 N ATOM 0 H GLN A 63 3.444 11.837 4.768 1.00 0.00 H new ATOM 0 HA GLN A 63 6.284 12.084 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.861 13.174 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.198 12.931 7.413 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.296 14.726 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.235 14.058 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.618 14.994 7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.882 16.226 6.144 1.00 0.00 H new ATOM 996 N ILE A 64 4.614 9.860 6.830 1.00 0.00 N ATOM 997 CA ILE A 64 4.753 8.714 7.712 1.00 0.00 C ATOM 998 C ILE A 64 5.690 7.692 7.068 1.00 0.00 C ATOM 999 O ILE A 64 6.570 7.173 7.771 1.00 0.00 O ATOM 1000 CB ILE A 64 3.378 8.146 8.073 1.00 0.00 C ATOM 1001 CG1 ILE A 64 3.139 8.207 9.583 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.210 6.729 7.523 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.758 6.997 10.286 1.00 0.00 C ATOM 0 H ILE A 64 3.666 10.009 6.483 1.00 0.00 H new ATOM 0 HA ILE A 64 5.207 9.013 8.657 1.00 0.00 H new ATOM 0 HB ILE A 64 2.617 8.767 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.568 9.125 9.986 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.068 8.240 9.784 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.225 6.348 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.307 6.746 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.978 6.081 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.574 7.065 11.358 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.310 6.082 9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.832 6.980 10.103 1.00 0.00 H new ATOM 1015 N VAL A 65 5.490 7.428 5.765 1.00 0.00 N ATOM 1016 CA VAL A 65 6.312 6.477 5.035 1.00 0.00 C ATOM 1017 C VAL A 65 7.715 7.057 4.852 1.00 0.00 C ATOM 1018 O VAL A 65 8.689 6.300 4.977 1.00 0.00 O ATOM 1019 CB VAL A 65 5.639 6.110 3.712 1.00 0.00 C ATOM 1020 CG1 VAL A 65 6.563 5.250 2.847 1.00 0.00 C ATOM 1021 CG2 VAL A 65 4.301 5.407 3.952 1.00 0.00 C ATOM 0 H VAL A 65 4.760 7.867 5.204 1.00 0.00 H new ATOM 0 HA VAL A 65 6.415 5.550 5.599 1.00 0.00 H new ATOM 0 HB VAL A 65 5.438 7.035 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.060 5.003 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.478 5.802 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.810 4.332 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.844 5.157 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.467 4.494 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.637 6.068 4.509 1.00 0.00 H new ATOM 1031 N GLU A 66 7.791 8.370 4.564 1.00 0.00 N ATOM 1032 CA GLU A 66 9.064 9.042 4.366 1.00 0.00 C ATOM 1033 C GLU A 66 9.884 8.961 5.655 1.00 0.00 C ATOM 1034 O GLU A 66 11.119 8.904 5.564 1.00 0.00 O ATOM 1035 CB GLU A 66 8.869 10.496 3.931 1.00 0.00 C ATOM 1036 CG GLU A 66 9.145 10.664 2.436 1.00 0.00 C ATOM 1037 CD GLU A 66 9.141 12.141 2.039 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.897 12.940 2.614 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.316 12.450 1.097 1.00 0.00 O ATOM 0 H GLU A 66 6.977 8.977 4.466 1.00 0.00 H new ATOM 0 HA GLU A 66 9.604 8.540 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.850 10.812 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.535 11.142 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.109 10.220 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.390 10.127 1.861 1.00 0.00 H new ATOM 1046 N LYS A 67 9.194 8.956 6.809 1.00 0.00 N ATOM 1047 CA LYS A 67 9.855 8.883 8.101 1.00 0.00 C ATOM 1048 C LYS A 67 10.386 7.464 8.317 1.00 0.00 C ATOM 1049 O LYS A 67 11.452 7.321 8.932 1.00 0.00 O ATOM 1050 CB LYS A 67 8.919 9.365 9.211 1.00 0.00 C ATOM 1051 CG LYS A 67 9.430 8.933 10.586 1.00 0.00 C ATOM 1052 CD LYS A 67 8.969 7.512 10.922 1.00 0.00 C ATOM 1053 CE LYS A 67 8.744 7.351 12.426 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.773 8.083 13.183 1.00 0.00 N ATOM 0 H LYS A 67 8.176 9.002 6.861 1.00 0.00 H new ATOM 0 HA LYS A 67 10.714 9.554 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.836 10.451 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.919 8.963 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.519 8.980 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.069 9.626 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.046 7.289 10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.716 6.794 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.755 7.722 12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.771 6.294 12.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.920 7.622 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.665 8.081 12.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.462 9.064 13.333 1.00 0.00 H new ATOM 1068 N ILE A 68 9.644 6.460 7.816 1.00 0.00 N ATOM 1069 CA ILE A 68 10.037 5.069 7.954 1.00 0.00 C ATOM 1070 C ILE A 68 11.190 4.771 6.993 1.00 0.00 C ATOM 1071 O ILE A 68 11.988 3.871 7.290 1.00 0.00 O ATOM 1072 CB ILE A 68 8.829 4.149 7.768 1.00 0.00 C ATOM 1073 CG1 ILE A 68 8.110 3.912 9.097 1.00 0.00 C ATOM 1074 CG2 ILE A 68 9.236 2.837 7.094 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.597 4.067 8.938 1.00 0.00 C ATOM 0 H ILE A 68 8.768 6.599 7.312 1.00 0.00 H new ATOM 0 HA ILE A 68 10.403 4.876 8.962 1.00 0.00 H new ATOM 0 HB ILE A 68 8.122 4.645 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.340 2.912 9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.475 4.618 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.358 2.202 6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.667 3.049 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.973 2.324 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.111 3.893 9.898 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.369 5.075 8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.232 3.343 8.210 1.00 0.00 H new ATOM 1087 N LEU A 69 11.253 5.521 5.877 1.00 0.00 N ATOM 1088 CA LEU A 69 12.298 5.339 4.885 1.00 0.00 C ATOM 1089 C LEU A 69 13.597 5.963 5.399 1.00 0.00 C ATOM 1090 O LEU A 69 14.674 5.505 4.989 1.00 0.00 O ATOM 1091 CB LEU A 69 11.849 5.884 3.528 1.00 0.00 C ATOM 1092 CG LEU A 69 10.857 5.015 2.751 1.00 0.00 C ATOM 1093 CD1 LEU A 69 11.195 4.996 1.259 1.00 0.00 C ATOM 1094 CD2 LEU A 69 10.783 3.606 3.342 1.00 0.00 C ATOM 0 H LEU A 69 10.585 6.258 5.651 1.00 0.00 H new ATOM 0 HA LEU A 69 12.494 4.278 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.399 6.864 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.733 6.034 2.908 1.00 0.00 H new ATOM 0 HG LEU A 69 9.865 5.457 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.475 4.371 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.154 6.011 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.198 4.592 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.071 3.009 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.767 3.140 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.458 3.664 4.381 1.00 0.00 H new ATOM 1106 N LYS A 70 13.473 6.979 6.271 1.00 0.00 N ATOM 1107 CA LYS A 70 14.629 7.657 6.833 1.00 0.00 C ATOM 1108 C LYS A 70 15.362 6.706 7.781 1.00 0.00 C ATOM 1109 O LYS A 70 16.596 6.793 7.867 1.00 0.00 O ATOM 1110 CB LYS A 70 14.212 8.976 7.486 1.00 0.00 C ATOM 1111 CG LYS A 70 14.124 8.832 9.006 1.00 0.00 C ATOM 1112 CD LYS A 70 15.508 8.952 9.650 1.00 0.00 C ATOM 1113 CE LYS A 70 15.684 7.920 10.765 1.00 0.00 C ATOM 1114 NZ LYS A 70 16.139 8.572 12.004 1.00 0.00 N ATOM 0 H LYS A 70 12.576 7.341 6.596 1.00 0.00 H new ATOM 0 HA LYS A 70 15.332 7.927 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.931 9.755 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.247 9.292 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.463 9.599 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.684 7.867 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.279 8.810 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.639 9.956 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.740 7.405 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.407 7.164 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.253 7.857 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.050 9.044 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.435 9.276 12.304 1.00 0.00 H new ATOM 1128 N GLU A 71 14.601 5.831 8.464 1.00 0.00 N ATOM 1129 CA GLU A 71 15.175 4.875 9.396 1.00 0.00 C ATOM 1130 C GLU A 71 15.517 3.584 8.648 1.00 0.00 C ATOM 1131 O GLU A 71 16.033 2.654 9.285 1.00 0.00 O ATOM 1132 CB GLU A 71 14.231 4.596 10.567 1.00 0.00 C ATOM 1133 CG GLU A 71 12.777 4.521 10.094 1.00 0.00 C ATOM 1134 CD GLU A 71 11.822 4.373 11.279 1.00 0.00 C ATOM 1135 OE1 GLU A 71 11.621 3.255 11.778 1.00 0.00 O ATOM 1136 OE2 GLU A 71 11.281 5.472 11.684 1.00 0.00 O ATOM 0 H GLU A 71 13.586 5.776 8.379 1.00 0.00 H new ATOM 0 HA GLU A 71 16.086 5.300 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.510 3.658 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.333 5.381 11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.527 5.420 9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.655 3.676 9.416 1.00 0.00 H new ATOM 1199 N SER B 3 4.754 -8.243 -19.224 1.00 0.00 N ATOM 1200 CA SER B 3 4.639 -8.833 -17.900 1.00 0.00 C ATOM 1201 C SER B 3 4.278 -7.743 -16.890 1.00 0.00 C ATOM 1202 O SER B 3 4.976 -7.628 -15.871 1.00 0.00 O ATOM 1203 CB SER B 3 5.936 -9.533 -17.486 1.00 0.00 C ATOM 1204 OG SER B 3 7.090 -8.839 -17.949 1.00 0.00 O ATOM 0 HA SER B 3 3.852 -9.587 -17.923 1.00 0.00 H new ATOM 0 HB2 SER B 3 5.973 -9.613 -16.400 1.00 0.00 H new ATOM 0 HB3 SER B 3 5.941 -10.549 -17.881 1.00 0.00 H new ATOM 0 HG SER B 3 6.848 -8.274 -18.712 1.00 0.00 H new ATOM 1210 N ASN B 4 3.213 -6.977 -17.187 1.00 0.00 N ATOM 1211 CA ASN B 4 2.767 -5.907 -16.310 1.00 0.00 C ATOM 1212 C ASN B 4 2.359 -6.498 -14.958 1.00 0.00 C ATOM 1213 O ASN B 4 2.623 -5.856 -13.931 1.00 0.00 O ATOM 1214 CB ASN B 4 1.550 -5.187 -16.896 1.00 0.00 C ATOM 1215 CG ASN B 4 1.690 -3.670 -16.752 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.744 -3.146 -16.433 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.570 -2.998 -17.005 1.00 0.00 N ATOM 0 H ASN B 4 2.652 -7.088 -18.032 1.00 0.00 H new ATOM 0 HA ASN B 4 3.588 -5.198 -16.198 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.441 -5.448 -17.949 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.645 -5.522 -16.389 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.559 -1.980 -16.937 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.278 -3.500 -17.267 1.00 0.00 H new ATOM 1224 N THR B 5 1.736 -7.690 -14.985 1.00 0.00 N ATOM 1225 CA THR B 5 1.299 -8.356 -13.770 1.00 0.00 C ATOM 1226 C THR B 5 2.485 -8.491 -12.812 1.00 0.00 C ATOM 1227 O THR B 5 2.320 -8.177 -11.624 1.00 0.00 O ATOM 1228 CB THR B 5 0.671 -9.700 -14.150 1.00 0.00 C ATOM 1229 OG1 THR B 5 -0.726 -9.423 -14.214 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.794 -10.740 -13.035 1.00 0.00 C ATOM 0 H THR B 5 1.529 -8.203 -15.842 1.00 0.00 H new ATOM 0 HA THR B 5 0.539 -7.776 -13.246 1.00 0.00 H new ATOM 0 HB THR B 5 1.146 -10.080 -15.054 1.00 0.00 H new ATOM 0 HG1 THR B 5 -1.211 -10.240 -14.456 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.333 -11.674 -13.356 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.847 -10.913 -12.813 1.00 0.00 H new ATOM 0 HG23 THR B 5 0.290 -10.375 -12.140 1.00 0.00 H new ATOM 1238 N VAL B 6 3.636 -8.945 -13.338 1.00 0.00 N ATOM 1239 CA VAL B 6 4.835 -9.117 -12.535 1.00 0.00 C ATOM 1240 C VAL B 6 5.110 -7.829 -11.756 1.00 0.00 C ATOM 1241 O VAL B 6 5.400 -7.919 -10.553 1.00 0.00 O ATOM 1242 CB VAL B 6 6.005 -9.538 -13.425 1.00 0.00 C ATOM 1243 CG1 VAL B 6 7.311 -8.895 -12.955 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.132 -11.062 -13.479 1.00 0.00 C ATOM 0 H VAL B 6 3.750 -9.197 -14.320 1.00 0.00 H new ATOM 0 HA VAL B 6 4.695 -9.915 -11.806 1.00 0.00 H new ATOM 0 HB VAL B 6 5.802 -9.183 -14.435 1.00 0.00 H new ATOM 0 HG11 VAL B 6 8.127 -9.211 -13.605 1.00 0.00 H new ATOM 0 HG12 VAL B 6 7.216 -7.810 -12.993 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.522 -9.205 -11.932 1.00 0.00 H new ATOM 0 HG21 VAL B 6 6.972 -11.335 -14.118 1.00 0.00 H new ATOM 0 HG22 VAL B 6 6.301 -11.449 -12.474 1.00 0.00 H new ATOM 0 HG23 VAL B 6 5.214 -11.489 -13.883 1.00 0.00 H new ATOM 1254 N SER B 7 5.013 -6.677 -12.443 1.00 0.00 N ATOM 1255 CA SER B 7 5.250 -5.386 -11.819 1.00 0.00 C ATOM 1256 C SER B 7 4.293 -5.212 -10.638 1.00 0.00 C ATOM 1257 O SER B 7 4.772 -5.132 -9.497 1.00 0.00 O ATOM 1258 CB SER B 7 5.075 -4.241 -12.817 1.00 0.00 C ATOM 1259 OG SER B 7 5.992 -4.334 -13.904 1.00 0.00 O ATOM 0 H SER B 7 4.771 -6.626 -13.433 1.00 0.00 H new ATOM 0 HA SER B 7 6.281 -5.357 -11.465 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.055 -4.248 -13.202 1.00 0.00 H new ATOM 0 HB3 SER B 7 5.216 -3.289 -12.305 1.00 0.00 H new ATOM 0 HG SER B 7 5.847 -3.586 -14.520 1.00 0.00 H new ATOM 1265 N SER B 8 2.982 -5.158 -10.929 1.00 0.00 N ATOM 1266 CA SER B 8 1.970 -4.994 -9.899 1.00 0.00 C ATOM 1267 C SER B 8 2.290 -5.922 -8.725 1.00 0.00 C ATOM 1268 O SER B 8 2.067 -5.517 -7.575 1.00 0.00 O ATOM 1269 CB SER B 8 0.569 -5.285 -10.438 1.00 0.00 C ATOM 1270 OG SER B 8 -0.305 -4.170 -10.283 1.00 0.00 O ATOM 0 H SER B 8 2.608 -5.227 -11.876 1.00 0.00 H new ATOM 0 HA SER B 8 1.982 -3.957 -9.564 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.634 -5.550 -11.493 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.152 -6.147 -9.918 1.00 0.00 H new ATOM 0 HG SER B 8 -1.226 -4.447 -10.472 1.00 0.00 H new ATOM 1276 N PHE B 9 2.799 -7.128 -9.032 1.00 0.00 N ATOM 1277 CA PHE B 9 3.145 -8.101 -8.011 1.00 0.00 C ATOM 1278 C PHE B 9 4.207 -7.505 -7.084 1.00 0.00 C ATOM 1279 O PHE B 9 3.954 -7.420 -5.873 1.00 0.00 O ATOM 1280 CB PHE B 9 3.666 -9.384 -8.686 1.00 0.00 C ATOM 1281 CG PHE B 9 3.430 -10.662 -7.891 1.00 0.00 C ATOM 1282 CD1 PHE B 9 4.142 -10.891 -6.691 1.00 0.00 C ATOM 1283 CD2 PHE B 9 2.496 -11.622 -8.344 1.00 0.00 C ATOM 1284 CE1 PHE B 9 3.921 -12.072 -5.950 1.00 0.00 C ATOM 1285 CE2 PHE B 9 2.276 -12.803 -7.602 1.00 0.00 C ATOM 1286 CZ PHE B 9 2.989 -13.028 -6.407 1.00 0.00 C ATOM 0 H PHE B 9 2.976 -7.442 -9.986 1.00 0.00 H new ATOM 0 HA PHE B 9 2.266 -8.352 -7.418 1.00 0.00 H new ATOM 0 HB2 PHE B 9 3.189 -9.485 -9.661 1.00 0.00 H new ATOM 0 HB3 PHE B 9 4.736 -9.276 -8.865 1.00 0.00 H new ATOM 0 HD1 PHE B 9 4.856 -10.161 -6.341 1.00 0.00 H new ATOM 0 HD2 PHE B 9 1.950 -11.452 -9.260 1.00 0.00 H new ATOM 0 HE1 PHE B 9 4.465 -12.244 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE B 9 1.561 -13.534 -7.950 1.00 0.00 H new ATOM 0 HZ PHE B 9 2.822 -13.932 -5.841 1.00 0.00 H new ATOM 1296 N GLN B 10 5.356 -7.112 -7.661 1.00 0.00 N ATOM 1297 CA GLN B 10 6.444 -6.530 -6.892 1.00 0.00 C ATOM 1298 C GLN B 10 5.891 -5.427 -5.987 1.00 0.00 C ATOM 1299 O GLN B 10 6.262 -5.392 -4.805 1.00 0.00 O ATOM 1300 CB GLN B 10 7.549 -5.989 -7.802 1.00 0.00 C ATOM 1301 CG GLN B 10 8.726 -6.964 -7.873 1.00 0.00 C ATOM 1302 CD GLN B 10 9.144 -7.215 -9.324 1.00 0.00 C ATOM 1303 OE1 GLN B 10 9.037 -6.357 -10.185 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.626 -8.435 -9.545 1.00 0.00 N ATOM 0 H GLN B 10 5.545 -7.192 -8.660 1.00 0.00 H new ATOM 0 HA GLN B 10 6.892 -7.310 -6.276 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.151 -5.820 -8.803 1.00 0.00 H new ATOM 0 HB3 GLN B 10 7.893 -5.024 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.570 -6.562 -7.312 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.450 -7.907 -7.402 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.688 -9.105 -8.779 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.933 -8.700 -10.481 1.00 0.00 H new ATOM 1313 N VAL B 11 5.028 -4.562 -6.550 1.00 0.00 N ATOM 1314 CA VAL B 11 4.431 -3.471 -5.800 1.00 0.00 C ATOM 1315 C VAL B 11 3.739 -4.032 -4.556 1.00 0.00 C ATOM 1316 O VAL B 11 4.050 -3.569 -3.449 1.00 0.00 O ATOM 1317 CB VAL B 11 3.487 -2.671 -6.700 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.683 -1.656 -5.886 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.257 -1.984 -7.829 1.00 0.00 C ATOM 0 H VAL B 11 4.735 -4.608 -7.526 1.00 0.00 H new ATOM 0 HA VAL B 11 5.199 -2.777 -5.460 1.00 0.00 H new ATOM 0 HB VAL B 11 2.783 -3.369 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.020 -1.101 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.090 -2.179 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.365 -0.964 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL B 11 3.563 -1.422 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL B 11 4.995 -1.303 -7.404 1.00 0.00 H new ATOM 0 HG23 VAL B 11 4.763 -2.736 -8.434 1.00 0.00 H new ATOM 1329 N ASP B 12 2.829 -5.002 -4.759 1.00 0.00 N ATOM 1330 CA ASP B 12 2.103 -5.618 -3.661 1.00 0.00 C ATOM 1331 C ASP B 12 3.091 -6.037 -2.572 1.00 0.00 C ATOM 1332 O ASP B 12 2.817 -5.773 -1.392 1.00 0.00 O ATOM 1333 CB ASP B 12 1.355 -6.868 -4.129 1.00 0.00 C ATOM 1334 CG ASP B 12 -0.062 -7.019 -3.574 1.00 0.00 C ATOM 1335 OD1 ASP B 12 -0.442 -6.350 -2.601 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.801 -7.878 -4.192 1.00 0.00 O ATOM 0 H ASP B 12 2.587 -5.369 -5.679 1.00 0.00 H new ATOM 0 HA ASP B 12 1.386 -4.890 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.303 -6.856 -5.218 1.00 0.00 H new ATOM 0 HB3 ASP B 12 1.935 -7.747 -3.847 1.00 0.00 H new ATOM 1341 N CYS B 13 4.204 -6.673 -2.981 1.00 0.00 N ATOM 1342 CA CYS B 13 5.221 -7.123 -2.046 1.00 0.00 C ATOM 1343 C CYS B 13 5.673 -5.943 -1.184 1.00 0.00 C ATOM 1344 O CYS B 13 5.592 -6.048 0.049 1.00 0.00 O ATOM 1345 CB CYS B 13 6.395 -7.776 -2.780 1.00 0.00 C ATOM 1346 SG CYS B 13 7.193 -9.139 -1.881 1.00 0.00 S ATOM 0 H CYS B 13 4.411 -6.882 -3.958 1.00 0.00 H new ATOM 0 HA CYS B 13 4.798 -7.887 -1.393 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.041 -8.151 -3.741 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.143 -7.012 -2.992 1.00 0.00 H new ATOM 0 HG CYS B 13 8.478 -8.944 -1.849 1.00 0.00 H new ATOM 1352 N PHE B 14 6.133 -4.860 -1.837 1.00 0.00 N ATOM 1353 CA PHE B 14 6.593 -3.675 -1.135 1.00 0.00 C ATOM 1354 C PHE B 14 5.477 -3.166 -0.220 1.00 0.00 C ATOM 1355 O PHE B 14 5.790 -2.671 0.873 1.00 0.00 O ATOM 1356 CB PHE B 14 6.992 -2.599 -2.163 1.00 0.00 C ATOM 1357 CG PHE B 14 7.292 -1.230 -1.565 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.549 -0.979 -0.968 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.322 -0.203 -1.610 1.00 0.00 C ATOM 1360 CE1 PHE B 14 8.831 0.290 -0.418 1.00 0.00 C ATOM 1361 CE2 PHE B 14 6.605 1.066 -1.059 1.00 0.00 C ATOM 1362 CZ PHE B 14 7.859 1.312 -0.462 1.00 0.00 C ATOM 0 H PHE B 14 6.191 -4.793 -2.853 1.00 0.00 H new ATOM 0 HA PHE B 14 7.464 -3.913 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.871 -2.944 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.187 -2.495 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.295 -1.760 -0.933 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.361 -0.389 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE B 14 9.792 0.479 0.037 1.00 0.00 H new ATOM 0 HE2 PHE B 14 5.861 1.848 -1.095 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.075 2.282 -0.039 1.00 0.00 H new ATOM 1372 N LEU B 15 4.219 -3.293 -0.676 1.00 0.00 N ATOM 1373 CA LEU B 15 3.071 -2.849 0.095 1.00 0.00 C ATOM 1374 C LEU B 15 3.038 -3.597 1.429 1.00 0.00 C ATOM 1375 O LEU B 15 2.864 -2.943 2.468 1.00 0.00 O ATOM 1376 CB LEU B 15 1.786 -2.994 -0.724 1.00 0.00 C ATOM 1377 CG LEU B 15 0.600 -2.143 -0.266 1.00 0.00 C ATOM 1378 CD1 LEU B 15 -0.726 -2.770 -0.705 1.00 0.00 C ATOM 1379 CD2 LEU B 15 0.647 -1.902 1.244 1.00 0.00 C ATOM 0 H LEU B 15 3.983 -3.703 -1.580 1.00 0.00 H new ATOM 0 HA LEU B 15 3.155 -1.787 0.326 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.009 -2.743 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.484 -4.041 -0.708 1.00 0.00 H new ATOM 0 HG LEU B 15 0.672 -1.169 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.553 -2.146 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.750 -2.847 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.820 -3.764 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.207 -1.295 1.542 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.613 -2.858 1.766 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.570 -1.381 1.501 1.00 0.00 H new ATOM 1391 N TRP B 16 3.202 -4.930 1.376 1.00 0.00 N ATOM 1392 CA TRP B 16 3.191 -5.756 2.571 1.00 0.00 C ATOM 1393 C TRP B 16 4.278 -5.269 3.532 1.00 0.00 C ATOM 1394 O TRP B 16 3.964 -5.036 4.709 1.00 0.00 O ATOM 1395 CB TRP B 16 3.341 -7.232 2.197 1.00 0.00 C ATOM 1396 CG TRP B 16 3.199 -8.191 3.381 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.106 -8.858 3.776 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.236 -8.566 4.313 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.361 -9.632 4.890 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.697 -9.450 5.227 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.584 -8.172 4.382 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.435 -10.012 6.275 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.307 -8.744 5.435 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.779 -9.634 6.363 1.00 0.00 C ATOM 0 H TRP B 16 3.343 -5.449 0.510 1.00 0.00 H new ATOM 0 HA TRP B 16 2.235 -5.665 3.086 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.592 -7.484 1.446 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.317 -7.382 1.736 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.146 -8.798 3.284 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.692 -10.228 5.377 1.00 0.00 H new ATOM 0 HE3 TRP B 16 6.026 -7.483 3.678 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.991 -10.701 6.978 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.348 -8.475 5.533 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.404 -10.032 7.149 1.00 0.00 H new ATOM 1415 N HIS B 17 5.514 -5.128 3.021 1.00 0.00 N ATOM 1416 CA HIS B 17 6.634 -4.674 3.828 1.00 0.00 C ATOM 1417 C HIS B 17 6.278 -3.335 4.477 1.00 0.00 C ATOM 1418 O HIS B 17 6.444 -3.211 5.700 1.00 0.00 O ATOM 1419 CB HIS B 17 7.917 -4.607 2.997 1.00 0.00 C ATOM 1420 CG HIS B 17 8.550 -5.953 2.735 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.236 -6.925 1.832 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 9.637 -6.422 3.452 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.087 -7.932 1.986 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 9.956 -7.622 2.990 1.00 0.00 N flip ATOM 0 H HIS B 17 5.751 -5.325 2.049 1.00 0.00 H new ATOM 0 HA HIS B 17 6.829 -5.391 4.625 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.695 -4.129 2.043 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.638 -3.972 3.511 1.00 0.00 H new ATOM 0 HD1 HIS B 17 7.476 -6.885 1.153 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.140 -5.899 4.252 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.091 -8.846 1.411 1.00 0.00 H new ATOM 1432 N VAL B 18 5.805 -2.376 3.662 1.00 0.00 N ATOM 1433 CA VAL B 18 5.431 -1.062 4.154 1.00 0.00 C ATOM 1434 C VAL B 18 4.385 -1.214 5.261 1.00 0.00 C ATOM 1435 O VAL B 18 4.437 -0.447 6.232 1.00 0.00 O ATOM 1436 CB VAL B 18 4.951 -0.185 2.995 1.00 0.00 C ATOM 1437 CG1 VAL B 18 3.462 0.137 3.132 1.00 0.00 C ATOM 1438 CG2 VAL B 18 5.783 1.095 2.896 1.00 0.00 C ATOM 0 H VAL B 18 5.677 -2.499 2.658 1.00 0.00 H new ATOM 0 HA VAL B 18 6.294 -0.559 4.589 1.00 0.00 H new ATOM 0 HB VAL B 18 5.088 -0.746 2.070 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.146 0.761 2.296 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.888 -0.789 3.130 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.289 0.669 4.068 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.422 1.700 2.065 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.692 1.661 3.823 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.829 0.837 2.729 1.00 0.00 H new ATOM 1448 N ARG B 19 3.470 -2.187 5.093 1.00 0.00 N ATOM 1449 CA ARG B 19 2.424 -2.435 6.071 1.00 0.00 C ATOM 1450 C ARG B 19 3.056 -2.932 7.373 1.00 0.00 C ATOM 1451 O ARG B 19 2.745 -2.368 8.432 1.00 0.00 O ATOM 1452 CB ARG B 19 1.421 -3.476 5.570 1.00 0.00 C ATOM 1453 CG ARG B 19 0.053 -3.282 6.229 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.998 -4.189 5.588 1.00 0.00 C ATOM 1455 NE ARG B 19 -0.907 -4.105 4.113 1.00 0.00 N ATOM 1456 CZ ARG B 19 -1.323 -5.076 3.273 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -1.856 -6.194 3.785 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -1.206 -4.925 1.946 1.00 0.00 N ATOM 0 H ARG B 19 3.444 -2.808 4.284 1.00 0.00 H new ATOM 0 HA ARG B 19 1.889 -1.500 6.239 1.00 0.00 H new ATOM 0 HB2 ARG B 19 1.321 -3.398 4.487 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.793 -4.478 5.785 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.125 -3.499 7.295 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.255 -2.241 6.136 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.848 -5.219 5.912 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.994 -3.894 5.917 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.505 -3.261 3.706 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -1.942 -6.301 4.796 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -2.175 -6.937 3.164 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.800 -4.071 1.564 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -1.523 -5.664 1.319 1.00 0.00 H new ATOM 1472 N LYS B 20 3.916 -3.961 7.271 1.00 0.00 N ATOM 1473 CA LYS B 20 4.582 -4.526 8.432 1.00 0.00 C ATOM 1474 C LYS B 20 5.274 -3.406 9.212 1.00 0.00 C ATOM 1475 O LYS B 20 5.336 -3.498 10.447 1.00 0.00 O ATOM 1476 CB LYS B 20 5.524 -5.656 8.013 1.00 0.00 C ATOM 1477 CG LYS B 20 6.987 -5.240 8.176 1.00 0.00 C ATOM 1478 CD LYS B 20 7.445 -5.400 9.627 1.00 0.00 C ATOM 1479 CE LYS B 20 8.407 -4.280 10.026 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.747 -4.824 10.300 1.00 0.00 N ATOM 0 H LYS B 20 4.159 -4.411 6.389 1.00 0.00 H new ATOM 0 HA LYS B 20 3.855 -4.982 9.104 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.325 -6.542 8.616 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.333 -5.927 6.975 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.616 -5.846 7.524 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.111 -4.203 7.864 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.579 -5.392 10.288 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.934 -6.366 9.753 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.465 -3.541 9.227 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.029 -3.766 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.387 -4.050 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.690 -5.513 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 10.112 -5.294 9.447 1.00 0.00 H new ATOM 1494 N GLN B 21 5.774 -2.388 8.489 1.00 0.00 N ATOM 1495 CA GLN B 21 6.453 -1.263 9.109 1.00 0.00 C ATOM 1496 C GLN B 21 5.426 -0.379 9.819 1.00 0.00 C ATOM 1497 O GLN B 21 5.738 0.134 10.904 1.00 0.00 O ATOM 1498 CB GLN B 21 7.255 -0.456 8.085 1.00 0.00 C ATOM 1499 CG GLN B 21 8.715 -0.315 8.519 1.00 0.00 C ATOM 1500 CD GLN B 21 9.627 -1.208 7.675 1.00 0.00 C ATOM 1501 OE1 GLN B 21 9.055 -2.339 7.273 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.774 -0.891 7.408 1.00 0.00 N flip ATOM 0 H GLN B 21 5.714 -2.332 7.472 1.00 0.00 H new ATOM 0 HA GLN B 21 7.165 -1.646 9.840 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.207 -0.946 7.112 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.810 0.532 7.967 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.028 0.725 8.423 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.813 -0.581 9.572 1.00 0.00 H new ATOM 0 HE21 GLN B 21 11.151 -0.007 7.749 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.356 -1.510 6.844 1.00 0.00 H new ATOM 1511 N VAL B 22 4.240 -0.223 9.205 1.00 0.00 N ATOM 1512 CA VAL B 22 3.179 0.591 9.776 1.00 0.00 C ATOM 1513 C VAL B 22 2.765 0.007 11.127 1.00 0.00 C ATOM 1514 O VAL B 22 2.830 0.735 12.129 1.00 0.00 O ATOM 1515 CB VAL B 22 2.014 0.698 8.789 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.706 1.011 9.518 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.304 1.743 7.710 1.00 0.00 C ATOM 0 H VAL B 22 4.002 -0.655 8.312 1.00 0.00 H new ATOM 0 HA VAL B 22 3.531 1.607 9.955 1.00 0.00 H new ATOM 0 HB VAL B 22 1.901 -0.268 8.297 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.106 1.082 8.794 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.488 0.216 10.231 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.803 1.958 10.049 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.461 1.799 7.022 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.456 2.716 8.177 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.202 1.460 7.161 1.00 0.00 H new ATOM 1527 N VAL B 23 2.356 -1.274 11.130 1.00 0.00 N ATOM 1528 CA VAL B 23 1.937 -1.946 12.349 1.00 0.00 C ATOM 1529 C VAL B 23 3.125 -2.041 13.309 1.00 0.00 C ATOM 1530 O VAL B 23 2.915 -1.898 14.522 1.00 0.00 O ATOM 1531 CB VAL B 23 1.329 -3.310 12.012 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.547 -3.870 13.200 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.448 -3.225 10.765 1.00 0.00 C ATOM 0 H VAL B 23 2.311 -1.857 10.294 1.00 0.00 H new ATOM 0 HA VAL B 23 1.158 -1.373 12.852 1.00 0.00 H new ATOM 0 HB VAL B 23 2.147 -3.997 11.797 1.00 0.00 H new ATOM 0 HG11 VAL B 23 0.126 -4.839 12.934 1.00 0.00 H new ATOM 0 HG12 VAL B 23 1.215 -3.987 14.053 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.258 -3.184 13.461 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.029 -4.207 10.548 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.361 -2.516 10.939 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.047 -2.891 9.918 1.00 0.00 H new ATOM 1543 N ASP B 24 4.328 -2.276 12.756 1.00 0.00 N ATOM 1544 CA ASP B 24 5.535 -2.387 13.557 1.00 0.00 C ATOM 1545 C ASP B 24 5.794 -1.058 14.270 1.00 0.00 C ATOM 1546 O ASP B 24 6.753 -0.985 15.053 1.00 0.00 O ATOM 1547 CB ASP B 24 6.750 -2.699 12.682 1.00 0.00 C ATOM 1548 CG ASP B 24 8.102 -2.594 13.391 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.725 -1.522 13.423 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.520 -3.687 13.933 1.00 0.00 O ATOM 0 H ASP B 24 4.478 -2.391 11.754 1.00 0.00 H new ATOM 0 HA ASP B 24 5.390 -3.195 14.274 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.643 -3.708 12.284 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.750 -2.019 11.830 1.00 0.00 H new ATOM 1555 N GLN B 25 4.949 -0.050 13.989 1.00 0.00 N ATOM 1556 CA GLN B 25 5.086 1.261 14.599 1.00 0.00 C ATOM 1557 C GLN B 25 3.822 1.582 15.399 1.00 0.00 C ATOM 1558 O GLN B 25 3.560 2.771 15.638 1.00 0.00 O ATOM 1559 CB GLN B 25 5.361 2.342 13.551 1.00 0.00 C ATOM 1560 CG GLN B 25 6.817 2.808 13.612 1.00 0.00 C ATOM 1561 CD GLN B 25 7.567 2.430 12.333 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.998 2.315 11.260 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.872 2.243 12.506 1.00 0.00 N ATOM 0 H GLN B 25 4.166 -0.131 13.340 1.00 0.00 H new ATOM 0 HA GLN B 25 5.943 1.245 15.272 1.00 0.00 H new ATOM 0 HB2 GLN B 25 5.141 1.954 12.557 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.697 3.190 13.716 1.00 0.00 H new ATOM 0 HG2 GLN B 25 6.851 3.888 13.752 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.311 2.359 14.474 1.00 0.00 H new ATOM 0 HE21 GLN B 25 9.285 2.355 13.432 1.00 0.00 H new ATOM 0 HE22 GLN B 25 9.460 1.987 11.713 1.00 0.00 H new ATOM 1572 N GLU B 26 3.074 0.534 15.789 1.00 0.00 N ATOM 1573 CA GLU B 26 1.850 0.704 16.554 1.00 0.00 C ATOM 1574 C GLU B 26 1.136 1.975 16.091 1.00 0.00 C ATOM 1575 O GLU B 26 0.624 2.709 16.948 1.00 0.00 O ATOM 1576 CB GLU B 26 2.129 0.748 18.057 1.00 0.00 C ATOM 1577 CG GLU B 26 2.541 2.154 18.498 1.00 0.00 C ATOM 1578 CD GLU B 26 3.679 2.097 19.519 1.00 0.00 C ATOM 1579 OE1 GLU B 26 3.594 1.343 20.501 1.00 0.00 O ATOM 1580 OE2 GLU B 26 4.679 2.871 19.265 1.00 0.00 O ATOM 0 H GLU B 26 3.306 -0.437 15.581 1.00 0.00 H new ATOM 0 HA GLU B 26 1.204 -0.156 16.376 1.00 0.00 H new ATOM 0 HB2 GLU B 26 1.239 0.437 18.605 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.919 0.039 18.305 1.00 0.00 H new ATOM 0 HG2 GLU B 26 2.855 2.734 17.630 1.00 0.00 H new ATOM 0 HG3 GLU B 26 1.684 2.669 18.932 1.00 0.00 H new ATOM 1587 N LEU B 27 1.118 2.208 14.766 1.00 0.00 N ATOM 1588 CA LEU B 27 0.474 3.380 14.198 1.00 0.00 C ATOM 1589 C LEU B 27 -0.733 2.940 13.367 1.00 0.00 C ATOM 1590 O LEU B 27 -1.285 3.778 12.639 1.00 0.00 O ATOM 1591 CB LEU B 27 1.485 4.222 13.416 1.00 0.00 C ATOM 1592 CG LEU B 27 1.636 3.882 11.933 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.972 4.946 11.056 1.00 0.00 C ATOM 1594 CD2 LEU B 27 3.106 3.673 11.564 1.00 0.00 C ATOM 0 H LEU B 27 1.547 1.591 14.076 1.00 0.00 H new ATOM 0 HA LEU B 27 0.098 4.029 14.989 1.00 0.00 H new ATOM 0 HB2 LEU B 27 1.198 5.270 13.501 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.460 4.119 13.893 1.00 0.00 H new ATOM 0 HG LEU B 27 1.120 2.940 11.745 1.00 0.00 H new ATOM 0 HD11 LEU B 27 1.094 4.680 10.006 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.090 5.003 11.295 1.00 0.00 H new ATOM 0 HD13 LEU B 27 1.438 5.913 11.242 1.00 0.00 H new ATOM 0 HD21 LEU B 27 3.184 3.432 10.504 1.00 0.00 H new ATOM 0 HD22 LEU B 27 3.666 4.585 11.772 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.516 2.853 12.153 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.113 1.656 13.491 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.245 1.114 12.757 1.00 0.00 C ATOM 1608 C GLY B 28 -3.511 1.254 13.604 1.00 0.00 C ATOM 1609 O GLY B 28 -3.720 2.331 14.180 1.00 0.00 O ATOM 0 H GLY B 28 -0.645 0.982 14.097 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.366 1.642 11.811 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.069 0.066 12.516 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.318 0.178 13.662 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.550 0.182 14.432 1.00 0.00 C ATOM 1615 C ASP B 29 -5.856 -1.242 14.903 1.00 0.00 C ATOM 1616 O ASP B 29 -5.865 -1.471 16.121 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.729 0.662 13.583 1.00 0.00 C ATOM 1618 CG ASP B 29 -6.420 0.851 12.096 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -5.662 0.073 11.497 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -7.001 1.861 11.543 1.00 0.00 O ATOM 0 H ASP B 29 -4.128 -0.700 13.180 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.417 0.856 15.278 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -7.544 -0.055 13.681 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.087 1.609 13.988 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.097 -2.154 13.944 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.400 -3.540 14.259 1.00 0.00 C ATOM 1627 C ALA B 30 -6.656 -4.309 12.961 1.00 0.00 C ATOM 1628 O ALA B 30 -6.224 -5.468 12.868 1.00 0.00 O ATOM 1629 CB ALA B 30 -7.698 -3.613 15.065 1.00 0.00 C ATOM 0 H ALA B 30 -6.085 -1.944 12.946 1.00 0.00 H new ATOM 0 HA ALA B 30 -5.562 -3.959 14.817 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -7.923 -4.653 15.300 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -7.584 -3.049 15.991 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.514 -3.189 14.480 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.342 -3.661 12.002 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.668 -4.247 10.714 1.00 0.00 C ATOM 1637 C PRO B 31 -6.437 -4.298 9.807 1.00 0.00 C ATOM 1638 O PRO B 31 -6.438 -5.093 8.855 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.781 -3.376 10.156 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.718 -2.071 10.932 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.835 -2.295 12.149 1.00 0.00 C ATOM 0 HA PRO B 31 -7.994 -5.284 10.794 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.643 -3.203 9.089 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.752 -3.857 10.278 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.313 -1.275 10.308 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.717 -1.760 11.237 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -7.014 -1.579 12.180 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.398 -2.175 13.075 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.428 -3.465 10.114 1.00 0.00 N ATOM 1650 CA PHE B 32 -4.204 -3.416 9.332 1.00 0.00 C ATOM 1651 C PHE B 32 -3.353 -4.649 9.647 1.00 0.00 C ATOM 1652 O PHE B 32 -2.758 -5.208 8.714 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.437 -2.122 9.670 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.236 -1.178 8.492 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.320 -0.852 7.644 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -1.959 -0.627 8.236 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.128 0.020 6.551 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -1.768 0.245 7.143 1.00 0.00 C ATOM 1659 CZ PHE B 32 -2.853 0.569 6.301 1.00 0.00 C ATOM 0 H PHE B 32 -5.447 -2.819 10.903 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.437 -3.416 8.267 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.974 -1.592 10.456 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.461 -2.389 10.075 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -5.297 -1.271 7.833 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.127 -0.874 8.879 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.958 0.267 5.906 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -0.791 0.664 6.951 1.00 0.00 H new ATOM 0 HZ PHE B 32 -2.707 1.237 5.465 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.313 -5.041 10.932 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.544 -6.196 11.362 1.00 0.00 C ATOM 1671 C LEU B 33 -3.267 -7.474 10.933 1.00 0.00 C ATOM 1672 O LEU B 33 -2.595 -8.401 10.458 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.263 -6.124 12.864 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.317 -7.191 13.421 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -0.225 -7.538 12.409 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -0.734 -6.757 14.768 1.00 0.00 C ATOM 0 H LEU B 33 -3.810 -4.565 11.685 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.567 -6.204 10.878 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.845 -5.143 13.089 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.212 -6.195 13.395 1.00 0.00 H new ATOM 0 HG LEU B 33 -1.893 -8.100 13.597 1.00 0.00 H new ATOM 0 HD11 LEU B 33 0.433 -8.298 12.830 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.683 -7.919 11.496 1.00 0.00 H new ATOM 0 HD13 LEU B 33 0.354 -6.644 12.178 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -0.065 -7.532 15.142 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.178 -5.828 14.641 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.543 -6.601 15.481 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.601 -7.499 11.104 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.404 -8.652 10.737 1.00 0.00 C ATOM 1690 C ASP B 34 -5.273 -8.900 9.233 1.00 0.00 C ATOM 1691 O ASP B 34 -5.053 -10.057 8.843 1.00 0.00 O ATOM 1692 CB ASP B 34 -6.883 -8.416 11.051 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.812 -9.580 10.701 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -7.219 -10.638 10.260 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.040 -9.483 10.845 1.00 0.00 O ATOM 0 H ASP B 34 -5.136 -6.725 11.497 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.047 -9.508 11.309 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -6.983 -8.198 12.114 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -7.217 -7.530 10.511 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.410 -7.829 8.431 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.308 -7.931 6.985 1.00 0.00 C ATOM 1702 C ARG B 35 -3.849 -8.177 6.597 1.00 0.00 C ATOM 1703 O ARG B 35 -3.613 -8.818 5.563 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.805 -6.660 6.294 1.00 0.00 C ATOM 1705 CG ARG B 35 -4.651 -5.688 6.040 1.00 0.00 C ATOM 1706 CD ARG B 35 -5.165 -4.367 5.461 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.634 -4.281 5.624 1.00 0.00 N ATOM 1708 CZ ARG B 35 -7.518 -4.444 4.618 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.059 -4.702 3.386 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -8.835 -4.350 4.847 1.00 0.00 N ATOM 0 H ARG B 35 -5.592 -6.885 8.772 1.00 0.00 H new ATOM 0 HA ARG B 35 -5.935 -8.761 6.660 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -6.282 -6.918 5.349 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -6.562 -6.178 6.912 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -4.119 -5.498 6.972 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -3.937 -6.138 5.351 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -4.685 -3.528 5.965 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -4.903 -4.297 4.405 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.001 -4.086 6.556 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -6.055 -4.772 3.220 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.714 -4.828 2.614 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -9.176 -4.154 5.788 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.496 -4.475 4.080 1.00 0.00 H new ATOM 1724 N LEU B 36 -2.913 -7.671 7.420 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.492 -7.834 7.165 1.00 0.00 C ATOM 1726 C LEU B 36 -1.129 -9.319 7.257 1.00 0.00 C ATOM 1727 O LEU B 36 -0.555 -9.846 6.293 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.673 -6.943 8.100 1.00 0.00 C ATOM 1729 CG LEU B 36 0.830 -7.228 8.155 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.607 -6.244 7.278 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.335 -7.232 9.598 1.00 0.00 C ATOM 0 H LEU B 36 -3.128 -7.146 8.267 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.247 -7.506 6.155 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.815 -5.906 7.797 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.078 -7.039 9.108 1.00 0.00 H new ATOM 0 HG LEU B 36 1.003 -8.225 7.751 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.672 -6.468 7.335 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.272 -6.335 6.245 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.431 -5.227 7.629 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.406 -7.437 9.608 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.147 -6.259 10.052 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.813 -8.003 10.164 1.00 0.00 H new ATOM 1743 N ARG B 37 -1.466 -9.951 8.395 1.00 0.00 N ATOM 1744 CA ARG B 37 -1.177 -11.360 8.607 1.00 0.00 C ATOM 1745 C ARG B 37 -1.909 -12.190 7.551 1.00 0.00 C ATOM 1746 O ARG B 37 -1.279 -13.080 6.961 1.00 0.00 O ATOM 1747 CB ARG B 37 -1.613 -11.820 10.000 1.00 0.00 C ATOM 1748 CG ARG B 37 -3.021 -12.419 9.964 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.460 -12.870 11.359 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.316 -14.072 11.255 1.00 0.00 N ATOM 1751 CZ ARG B 37 -4.172 -15.174 12.023 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -3.199 -15.200 12.944 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -4.990 -16.223 11.868 1.00 0.00 N ATOM 0 H ARG B 37 -1.939 -9.498 9.177 1.00 0.00 H new ATOM 0 HA ARG B 37 -0.099 -11.501 8.524 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -0.909 -12.560 10.379 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -1.591 -10.976 10.689 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -3.724 -11.681 9.578 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -3.042 -13.267 9.280 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.585 -13.088 11.972 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -4.005 -12.067 11.855 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.062 -14.069 10.559 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -2.582 -14.396 13.056 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.076 -16.024 13.533 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.729 -16.194 11.166 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -4.874 -17.051 12.452 1.00 0.00 H new ATOM 1767 N ARG B 38 -3.202 -11.888 7.337 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.008 -12.602 6.361 1.00 0.00 C ATOM 1769 C ARG B 38 -3.392 -12.427 4.971 1.00 0.00 C ATOM 1770 O ARG B 38 -3.413 -13.390 4.191 1.00 0.00 O ATOM 1771 CB ARG B 38 -5.451 -12.093 6.340 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.214 -12.658 5.141 1.00 0.00 C ATOM 1773 CD ARG B 38 -7.677 -12.209 5.162 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.319 -12.514 3.863 1.00 0.00 N ATOM 1775 CZ ARG B 38 -9.622 -12.286 3.591 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -10.400 -11.752 4.541 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.128 -12.590 2.388 1.00 0.00 N ATOM 0 H ARG B 38 -3.702 -11.151 7.834 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.024 -13.655 6.642 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.955 -12.379 7.264 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -5.456 -11.004 6.298 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.742 -12.328 4.216 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.164 -13.747 5.153 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -8.210 -12.714 5.968 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.735 -11.139 5.363 1.00 0.00 H new ATOM 0 HE ARG B 38 -7.741 -12.922 3.128 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.006 -11.524 5.454 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -11.386 -11.573 4.352 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.528 -12.997 1.670 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.113 -12.415 2.190 1.00 0.00 H new ATOM 1791 N ASP B 39 -2.865 -11.221 4.694 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.250 -10.926 3.411 1.00 0.00 C ATOM 1793 C ASP B 39 -0.963 -11.741 3.267 1.00 0.00 C ATOM 1794 O ASP B 39 -0.650 -12.155 2.142 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.887 -9.444 3.303 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.257 -9.028 1.971 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -0.220 -9.710 1.622 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -1.734 -8.100 1.302 1.00 0.00 O ATOM 0 H ASP B 39 -2.858 -10.441 5.351 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.964 -11.180 2.628 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.788 -8.852 3.462 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.196 -9.195 4.108 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.254 -11.949 4.392 1.00 0.00 N ATOM 1804 CA GLN B 40 0.985 -12.706 4.390 1.00 0.00 C ATOM 1805 C GLN B 40 0.709 -14.129 3.900 1.00 0.00 C ATOM 1806 O GLN B 40 1.305 -14.530 2.889 1.00 0.00 O ATOM 1807 CB GLN B 40 1.637 -12.721 5.774 1.00 0.00 C ATOM 1808 CG GLN B 40 2.899 -13.586 5.778 1.00 0.00 C ATOM 1809 CD GLN B 40 4.141 -12.744 5.478 1.00 0.00 C ATOM 1810 OE1 GLN B 40 4.125 -12.164 4.282 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 5.053 -12.629 6.279 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.529 -11.598 5.309 1.00 0.00 H new ATOM 0 HA GLN B 40 1.688 -12.222 3.712 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.889 -11.703 6.072 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.928 -13.102 6.509 1.00 0.00 H new ATOM 0 HG2 GLN B 40 3.009 -14.070 6.748 1.00 0.00 H new ATOM 0 HG3 GLN B 40 2.804 -14.378 5.035 1.00 0.00 H new ATOM 0 HE21 GLN B 40 5.002 -13.102 7.181 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.867 -12.060 6.047 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.175 -14.850 4.611 1.00 0.00 N ATOM 1821 CA LYS B 41 -0.524 -16.213 4.251 1.00 0.00 C ATOM 1822 C LYS B 41 -0.893 -16.266 2.766 1.00 0.00 C ATOM 1823 O LYS B 41 -0.466 -17.208 2.085 1.00 0.00 O ATOM 1824 CB LYS B 41 -1.619 -16.749 5.176 1.00 0.00 C ATOM 1825 CG LYS B 41 -1.077 -17.851 6.087 1.00 0.00 C ATOM 1826 CD LYS B 41 -1.443 -19.237 5.550 1.00 0.00 C ATOM 1827 CE LYS B 41 -0.593 -19.595 4.329 1.00 0.00 C ATOM 1828 NZ LYS B 41 -0.213 -21.016 4.364 1.00 0.00 N ATOM 0 H LYS B 41 -0.656 -14.500 5.439 1.00 0.00 H new ATOM 0 HA LYS B 41 0.331 -16.874 4.391 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.019 -15.936 5.782 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -2.445 -17.138 4.580 1.00 0.00 H new ATOM 0 HG2 LYS B 41 0.007 -17.762 6.166 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -1.481 -17.728 7.092 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -1.297 -19.983 6.331 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -2.499 -19.259 5.281 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -1.150 -19.384 3.416 1.00 0.00 H new ATOM 0 HE3 LYS B 41 0.302 -18.974 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 0.363 -21.242 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 0.337 -21.207 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -1.070 -21.605 4.363 1.00 0.00 H new ATOM 1842 N SER B 42 -1.667 -15.268 2.303 1.00 0.00 N ATOM 1843 CA SER B 42 -2.088 -15.201 0.914 1.00 0.00 C ATOM 1844 C SER B 42 -0.862 -14.982 0.025 1.00 0.00 C ATOM 1845 O SER B 42 -0.801 -15.589 -1.054 1.00 0.00 O ATOM 1846 CB SER B 42 -3.111 -14.086 0.692 1.00 0.00 C ATOM 1847 OG SER B 42 -3.891 -14.302 -0.481 1.00 0.00 O ATOM 0 H SER B 42 -2.008 -14.500 2.881 1.00 0.00 H new ATOM 0 HA SER B 42 -2.569 -16.143 0.652 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.770 -14.021 1.558 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.594 -13.130 0.612 1.00 0.00 H new ATOM 0 HG SER B 42 -4.533 -13.569 -0.586 1.00 0.00 H new ATOM 1853 N LEU B 43 0.074 -14.133 0.487 1.00 0.00 N ATOM 1854 CA LEU B 43 1.284 -13.839 -0.261 1.00 0.00 C ATOM 1855 C LEU B 43 2.139 -15.105 -0.357 1.00 0.00 C ATOM 1856 O LEU B 43 2.294 -15.629 -1.469 1.00 0.00 O ATOM 1857 CB LEU B 43 2.018 -12.646 0.354 1.00 0.00 C ATOM 1858 CG LEU B 43 2.582 -11.623 -0.635 1.00 0.00 C ATOM 1859 CD1 LEU B 43 3.222 -10.445 0.102 1.00 0.00 C ATOM 1860 CD2 LEU B 43 3.555 -12.284 -1.612 1.00 0.00 C ATOM 0 H LEU B 43 0.004 -13.643 1.379 1.00 0.00 H new ATOM 0 HA LEU B 43 1.039 -13.541 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.333 -12.131 1.028 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.839 -13.024 0.963 1.00 0.00 H new ATOM 0 HG LEU B 43 1.756 -11.225 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.615 -9.732 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.473 -9.954 0.724 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.035 -10.808 0.731 1.00 0.00 H new ATOM 0 HD21 LEU B 43 3.941 -11.535 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU B 43 4.382 -12.727 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU B 43 3.036 -13.062 -2.172 1.00 0.00 H new ATOM 1872 N ARG B 44 2.668 -15.561 0.792 1.00 0.00 N ATOM 1873 CA ARG B 44 3.498 -16.752 0.837 1.00 0.00 C ATOM 1874 C ARG B 44 2.897 -17.823 -0.077 1.00 0.00 C ATOM 1875 O ARG B 44 3.667 -18.521 -0.754 1.00 0.00 O ATOM 1876 CB ARG B 44 3.610 -17.309 2.258 1.00 0.00 C ATOM 1877 CG ARG B 44 4.888 -18.133 2.426 1.00 0.00 C ATOM 1878 CD ARG B 44 5.384 -18.085 3.872 1.00 0.00 C ATOM 1879 NE ARG B 44 6.710 -17.429 3.931 1.00 0.00 N ATOM 1880 CZ ARG B 44 7.789 -17.957 4.548 1.00 0.00 C ATOM 1881 NH1 ARG B 44 7.675 -19.148 5.151 1.00 0.00 N ATOM 1882 NH2 ARG B 44 8.956 -17.299 4.557 1.00 0.00 N ATOM 0 H ARG B 44 2.528 -15.113 1.698 1.00 0.00 H new ATOM 0 HA ARG B 44 4.498 -16.479 0.500 1.00 0.00 H new ATOM 0 HB2 ARG B 44 3.606 -16.488 2.975 1.00 0.00 H new ATOM 0 HB3 ARG B 44 2.742 -17.930 2.478 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.699 -19.167 2.136 1.00 0.00 H new ATOM 0 HG3 ARG B 44 5.661 -17.751 1.759 1.00 0.00 H new ATOM 0 HD2 ARG B 44 4.672 -17.540 4.492 1.00 0.00 H new ATOM 0 HD3 ARG B 44 5.451 -19.095 4.276 1.00 0.00 H new ATOM 0 HE ARG B 44 6.815 -16.522 3.477 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.783 -19.642 5.140 1.00 0.00 H new ATOM 0 HH12 ARG B 44 8.480 -19.561 5.621 1.00 0.00 H new ATOM 0 HH21 ARG B 44 9.034 -16.393 4.096 1.00 0.00 H new ATOM 0 HH22 ARG B 44 9.766 -17.704 5.025 1.00 0.00 H new ATOM 1896 N GLY B 45 1.556 -17.931 -0.077 1.00 0.00 N ATOM 1897 CA GLY B 45 0.863 -18.905 -0.901 1.00 0.00 C ATOM 1898 C GLY B 45 1.155 -18.623 -2.376 1.00 0.00 C ATOM 1899 O GLY B 45 1.756 -19.484 -3.034 1.00 0.00 O ATOM 0 H GLY B 45 0.940 -17.348 0.490 1.00 0.00 H new ATOM 0 HA2 GLY B 45 1.186 -19.913 -0.641 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.210 -18.857 -0.716 1.00 0.00 H new ATOM 1903 N ARG B 46 0.732 -17.440 -2.857 1.00 0.00 N ATOM 1904 CA ARG B 46 0.948 -17.051 -4.241 1.00 0.00 C ATOM 1905 C ARG B 46 2.440 -17.135 -4.563 1.00 0.00 C ATOM 1906 O ARG B 46 2.814 -17.956 -5.414 1.00 0.00 O ATOM 1907 CB ARG B 46 0.455 -15.627 -4.508 1.00 0.00 C ATOM 1908 CG ARG B 46 -1.023 -15.623 -4.904 1.00 0.00 C ATOM 1909 CD ARG B 46 -1.522 -14.198 -5.145 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.163 -13.335 -3.997 1.00 0.00 N ATOM 1911 CZ ARG B 46 -2.024 -12.495 -3.383 1.00 0.00 C ATOM 1912 NH1 ARG B 46 -3.287 -12.423 -3.824 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.621 -11.746 -2.348 1.00 0.00 N ATOM 0 H ARG B 46 0.239 -16.744 -2.298 1.00 0.00 H new ATOM 0 HA ARG B 46 0.382 -17.732 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG B 46 0.598 -15.016 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.049 -15.176 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -1.163 -16.219 -5.806 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -1.615 -16.091 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -1.084 -13.800 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -2.603 -14.201 -5.284 1.00 0.00 H new ATOM 0 HE ARG B 46 -0.206 -13.377 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -3.586 -12.997 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -3.950 -11.794 -3.372 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -0.658 -11.808 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -2.277 -11.114 -1.890 1.00 0.00 H new ATOM 1927 N GLY B 47 3.252 -16.300 -3.889 1.00 0.00 N ATOM 1928 CA GLY B 47 4.688 -16.282 -4.103 1.00 0.00 C ATOM 1929 C GLY B 47 5.200 -17.719 -4.220 1.00 0.00 C ATOM 1930 O GLY B 47 5.766 -18.059 -5.269 1.00 0.00 O ATOM 0 H GLY B 47 2.925 -15.631 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY B 47 4.925 -15.724 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.184 -15.773 -3.276 1.00 0.00 H new ATOM 1934 N SER B 48 4.996 -18.519 -3.158 1.00 0.00 N ATOM 1935 CA SER B 48 5.435 -19.904 -3.142 1.00 0.00 C ATOM 1936 C SER B 48 5.140 -20.543 -4.501 1.00 0.00 C ATOM 1937 O SER B 48 6.087 -21.012 -5.150 1.00 0.00 O ATOM 1938 CB SER B 48 4.753 -20.695 -2.024 1.00 0.00 C ATOM 1939 OG SER B 48 5.340 -20.437 -0.753 1.00 0.00 O ATOM 0 H SER B 48 4.528 -18.218 -2.303 1.00 0.00 H new ATOM 0 HA SER B 48 6.508 -19.925 -2.950 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.694 -20.439 -1.993 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.817 -21.761 -2.243 1.00 0.00 H new ATOM 0 HG SER B 48 4.862 -19.702 -0.315 1.00 0.00 H new ATOM 1945 N THR B 49 3.855 -20.548 -4.898 1.00 0.00 N ATOM 1946 CA THR B 49 3.443 -21.124 -6.167 1.00 0.00 C ATOM 1947 C THR B 49 4.473 -20.768 -7.242 1.00 0.00 C ATOM 1948 O THR B 49 4.909 -21.676 -7.964 1.00 0.00 O ATOM 1949 CB THR B 49 2.031 -20.633 -6.492 1.00 0.00 C ATOM 1950 OG1 THR B 49 1.283 -20.923 -5.313 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.354 -21.471 -7.577 1.00 0.00 C ATOM 0 H THR B 49 3.090 -20.156 -4.348 1.00 0.00 H new ATOM 0 HA THR B 49 3.405 -22.212 -6.119 1.00 0.00 H new ATOM 0 HB THR B 49 2.074 -19.592 -6.812 1.00 0.00 H new ATOM 0 HG1 THR B 49 1.265 -20.132 -4.734 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.355 -21.080 -7.769 1.00 0.00 H new ATOM 0 HG22 THR B 49 1.944 -21.425 -8.493 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.280 -22.506 -7.244 1.00 0.00 H new ATOM 1959 N LEU B 50 4.833 -19.475 -7.325 1.00 0.00 N ATOM 1960 CA LEU B 50 5.801 -19.007 -8.301 1.00 0.00 C ATOM 1961 C LEU B 50 7.193 -19.510 -7.915 1.00 0.00 C ATOM 1962 O LEU B 50 7.873 -20.085 -8.779 1.00 0.00 O ATOM 1963 CB LEU B 50 5.718 -17.487 -8.453 1.00 0.00 C ATOM 1964 CG LEU B 50 5.386 -16.970 -9.855 1.00 0.00 C ATOM 1965 CD1 LEU B 50 4.553 -15.689 -9.784 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.658 -16.779 -10.683 1.00 0.00 C ATOM 0 H LEU B 50 4.460 -18.743 -6.721 1.00 0.00 H new ATOM 0 HA LEU B 50 5.575 -19.416 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU B 50 4.963 -17.113 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.672 -17.058 -8.146 1.00 0.00 H new ATOM 0 HG LEU B 50 4.780 -17.721 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU B 50 4.331 -15.343 -10.793 1.00 0.00 H new ATOM 0 HD12 LEU B 50 3.621 -15.890 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU B 50 5.113 -14.920 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.395 -16.411 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.309 -16.057 -10.189 1.00 0.00 H new ATOM 0 HD23 LEU B 50 7.178 -17.732 -10.776 1.00 0.00 H new ATOM 1978 N GLY B 51 7.583 -19.290 -6.647 1.00 0.00 N ATOM 1979 CA GLY B 51 8.882 -19.718 -6.155 1.00 0.00 C ATOM 1980 C GLY B 51 9.895 -18.588 -6.350 1.00 0.00 C ATOM 1981 O GLY B 51 11.082 -18.888 -6.542 1.00 0.00 O ATOM 0 H GLY B 51 7.007 -18.816 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.815 -19.983 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.209 -20.611 -6.688 1.00 0.00 H new ATOM 1985 N LEU B 52 9.414 -17.332 -6.298 1.00 0.00 N ATOM 1986 CA LEU B 52 10.272 -16.172 -6.467 1.00 0.00 C ATOM 1987 C LEU B 52 10.878 -15.790 -5.115 1.00 0.00 C ATOM 1988 O LEU B 52 10.737 -16.572 -4.164 1.00 0.00 O ATOM 1989 CB LEU B 52 9.504 -15.033 -7.141 1.00 0.00 C ATOM 1990 CG LEU B 52 8.031 -14.894 -6.752 1.00 0.00 C ATOM 1991 CD1 LEU B 52 7.889 -14.455 -5.294 1.00 0.00 C ATOM 1992 CD2 LEU B 52 7.299 -13.950 -7.708 1.00 0.00 C ATOM 0 H LEU B 52 8.432 -17.107 -6.139 1.00 0.00 H new ATOM 0 HA LEU B 52 11.102 -16.405 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU B 52 10.010 -14.095 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.563 -15.171 -8.221 1.00 0.00 H new ATOM 0 HG LEU B 52 7.560 -15.873 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU B 52 6.832 -14.364 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.354 -15.196 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.380 -13.492 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.254 -13.868 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.764 -12.965 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU B 52 7.357 -14.343 -8.723 1.00 0.00 H new ATOM 2004 N ASN B 53 11.530 -14.615 -5.059 1.00 0.00 N ATOM 2005 CA ASN B 53 12.151 -14.137 -3.835 1.00 0.00 C ATOM 2006 C ASN B 53 11.359 -12.941 -3.300 1.00 0.00 C ATOM 2007 O ASN B 53 11.655 -11.809 -3.708 1.00 0.00 O ATOM 2008 CB ASN B 53 13.588 -13.677 -4.089 1.00 0.00 C ATOM 2009 CG ASN B 53 14.367 -13.564 -2.777 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.065 -12.597 -2.522 1.00 0.00 O ATOM 2011 ND2 ASN B 53 14.210 -14.604 -1.964 1.00 0.00 N ATOM 0 H ASN B 53 11.634 -13.986 -5.855 1.00 0.00 H new ATOM 0 HA ASN B 53 12.157 -14.957 -3.117 1.00 0.00 H new ATOM 0 HB2 ASN B 53 14.087 -14.382 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.581 -12.712 -4.596 1.00 0.00 H new ATOM 0 HD21 ASN B 53 14.689 -14.625 -1.064 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.610 -15.381 -2.240 1.00 0.00 H new ATOM 2018 N ILE B 54 10.385 -13.213 -2.414 1.00 0.00 N ATOM 2019 CA ILE B 54 9.561 -12.168 -1.831 1.00 0.00 C ATOM 2020 C ILE B 54 10.454 -11.000 -1.403 1.00 0.00 C ATOM 2021 O ILE B 54 9.999 -9.850 -1.488 1.00 0.00 O ATOM 2022 CB ILE B 54 8.701 -12.731 -0.698 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.271 -12.992 -1.174 1.00 0.00 C ATOM 2024 CG2 ILE B 54 8.740 -11.817 0.528 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.261 -13.878 -2.422 1.00 0.00 C ATOM 0 H ILE B 54 10.158 -14.154 -2.093 1.00 0.00 H new ATOM 0 HA ILE B 54 8.859 -11.781 -2.570 1.00 0.00 H new ATOM 0 HB ILE B 54 9.120 -13.691 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.701 -13.472 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.778 -12.045 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.120 -12.241 1.318 1.00 0.00 H new ATOM 0 HG22 ILE B 54 9.767 -11.726 0.882 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.361 -10.831 0.259 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.232 -14.048 -2.739 1.00 0.00 H new ATOM 0 HD12 ILE B 54 7.811 -13.384 -3.223 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.733 -14.834 -2.194 1.00 0.00 H new ATOM 2037 N GLU B 55 11.684 -11.313 -0.960 1.00 0.00 N ATOM 2038 CA GLU B 55 12.628 -10.298 -0.524 1.00 0.00 C ATOM 2039 C GLU B 55 12.961 -9.379 -1.701 1.00 0.00 C ATOM 2040 O GLU B 55 12.593 -8.197 -1.650 1.00 0.00 O ATOM 2041 CB GLU B 55 13.895 -10.923 0.061 1.00 0.00 C ATOM 2042 CG GLU B 55 14.684 -9.898 0.879 1.00 0.00 C ATOM 2043 CD GLU B 55 14.042 -9.679 2.250 1.00 0.00 C ATOM 2044 OE1 GLU B 55 13.694 -10.758 2.868 1.00 0.00 O ATOM 2045 OE2 GLU B 55 13.888 -8.529 2.686 1.00 0.00 O ATOM 0 H GLU B 55 12.038 -12.268 -0.899 1.00 0.00 H new ATOM 0 HA GLU B 55 12.169 -9.711 0.271 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.629 -11.770 0.693 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.520 -11.310 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU B 55 15.711 -10.241 1.005 1.00 0.00 H new ATOM 0 HG3 GLU B 55 14.728 -8.952 0.339 1.00 0.00 H new ATOM 2052 N ALA B 56 13.641 -9.932 -2.722 1.00 0.00 N ATOM 2053 CA ALA B 56 14.020 -9.167 -3.899 1.00 0.00 C ATOM 2054 C ALA B 56 12.795 -8.422 -4.434 1.00 0.00 C ATOM 2055 O ALA B 56 12.925 -7.235 -4.764 1.00 0.00 O ATOM 2056 CB ALA B 56 14.461 -10.121 -5.011 1.00 0.00 C ATOM 0 H ALA B 56 13.935 -10.909 -2.745 1.00 0.00 H new ATOM 0 HA ALA B 56 14.820 -8.481 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.745 -9.546 -5.892 1.00 0.00 H new ATOM 0 HB2 ALA B 56 15.314 -10.707 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.639 -10.790 -5.264 1.00 0.00 H new ATOM 2062 N ALA B 57 11.649 -9.123 -4.506 1.00 0.00 N ATOM 2063 CA ALA B 57 10.415 -8.532 -4.996 1.00 0.00 C ATOM 2064 C ALA B 57 10.180 -7.194 -4.290 1.00 0.00 C ATOM 2065 O ALA B 57 10.243 -6.154 -4.961 1.00 0.00 O ATOM 2066 CB ALA B 57 9.232 -9.427 -4.623 1.00 0.00 C ATOM 0 H ALA B 57 11.564 -10.101 -4.228 1.00 0.00 H new ATOM 0 HA ALA B 57 10.496 -8.410 -6.076 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.308 -8.981 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.365 -10.411 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.179 -9.527 -3.539 1.00 0.00 H new ATOM 2072 N THR B 58 9.918 -7.247 -2.972 1.00 0.00 N ATOM 2073 CA THR B 58 9.676 -6.050 -2.186 1.00 0.00 C ATOM 2074 C THR B 58 10.808 -5.050 -2.428 1.00 0.00 C ATOM 2075 O THR B 58 10.569 -3.842 -2.286 1.00 0.00 O ATOM 2076 CB THR B 58 9.524 -6.451 -0.718 1.00 0.00 C ATOM 2077 OG1 THR B 58 9.188 -5.232 -0.057 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.853 -6.864 -0.082 1.00 0.00 C ATOM 0 H THR B 58 9.871 -8.115 -2.438 1.00 0.00 H new ATOM 0 HA THR B 58 8.752 -5.555 -2.484 1.00 0.00 H new ATOM 0 HB THR B 58 8.813 -7.273 -0.639 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.354 -5.351 0.445 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.688 -7.139 0.960 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.265 -7.717 -0.621 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.554 -6.031 -0.131 1.00 0.00 H new ATOM 2086 N HIS B 59 12.000 -5.563 -2.784 1.00 0.00 N ATOM 2087 CA HIS B 59 13.155 -4.720 -3.042 1.00 0.00 C ATOM 2088 C HIS B 59 12.908 -3.897 -4.307 1.00 0.00 C ATOM 2089 O HIS B 59 13.028 -2.665 -4.241 1.00 0.00 O ATOM 2090 CB HIS B 59 14.435 -5.555 -3.118 1.00 0.00 C ATOM 2091 CG HIS B 59 15.572 -5.014 -2.283 1.00 0.00 C ATOM 2092 ND1 HIS B 59 15.385 -4.473 -1.024 1.00 0.00 N ATOM 2093 CD2 HIS B 59 16.909 -4.939 -2.540 1.00 0.00 C ATOM 2094 CE1 HIS B 59 16.564 -4.091 -0.554 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.507 -4.380 -1.495 1.00 0.00 N ATOM 0 H HIS B 59 12.177 -6.561 -2.897 1.00 0.00 H new ATOM 0 HA HIS B 59 13.297 -4.025 -2.215 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.213 -6.572 -2.795 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.757 -5.614 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS B 59 17.399 -5.277 -3.441 1.00 0.00 H new ATOM 0 HE1 HIS B 59 16.746 -3.631 0.406 1.00 0.00 H new ATOM 0 HE2 HIS B 59 18.507 -4.197 -1.410 1.00 0.00 H new ATOM 2103 N VAL B 60 12.573 -4.582 -5.415 1.00 0.00 N ATOM 2104 CA VAL B 60 12.312 -3.918 -6.681 1.00 0.00 C ATOM 2105 C VAL B 60 11.153 -2.934 -6.506 1.00 0.00 C ATOM 2106 O VAL B 60 11.226 -1.831 -7.067 1.00 0.00 O ATOM 2107 CB VAL B 60 12.055 -4.958 -7.774 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.039 -4.441 -8.794 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.361 -5.366 -8.459 1.00 0.00 C ATOM 0 H VAL B 60 12.479 -5.597 -5.447 1.00 0.00 H new ATOM 0 HA VAL B 60 13.182 -3.342 -6.998 1.00 0.00 H new ATOM 0 HB VAL B 60 11.633 -5.845 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL B 60 10.874 -5.199 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.097 -4.223 -8.291 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.421 -3.532 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.151 -6.106 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.823 -4.489 -8.912 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.040 -5.794 -7.722 1.00 0.00 H new ATOM 2119 N GLY B 61 10.123 -3.347 -5.746 1.00 0.00 N ATOM 2120 CA GLY B 61 8.962 -2.508 -5.502 1.00 0.00 C ATOM 2121 C GLY B 61 9.409 -1.208 -4.831 1.00 0.00 C ATOM 2122 O GLY B 61 8.964 -0.136 -5.268 1.00 0.00 O ATOM 0 H GLY B 61 10.082 -4.261 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.453 -2.290 -6.441 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.248 -3.032 -4.867 1.00 0.00 H new ATOM 2126 N LYS B 62 10.266 -1.325 -3.802 1.00 0.00 N ATOM 2127 CA LYS B 62 10.764 -0.167 -3.080 1.00 0.00 C ATOM 2128 C LYS B 62 11.417 0.802 -4.067 1.00 0.00 C ATOM 2129 O LYS B 62 11.303 2.019 -3.863 1.00 0.00 O ATOM 2130 CB LYS B 62 11.692 -0.603 -1.944 1.00 0.00 C ATOM 2131 CG LYS B 62 11.981 0.561 -0.994 1.00 0.00 C ATOM 2132 CD LYS B 62 13.359 1.166 -1.271 1.00 0.00 C ATOM 2133 CE LYS B 62 14.431 0.078 -1.340 1.00 0.00 C ATOM 2134 NZ LYS B 62 15.705 0.575 -0.794 1.00 0.00 N ATOM 0 H LYS B 62 10.622 -2.217 -3.460 1.00 0.00 H new ATOM 0 HA LYS B 62 9.942 0.367 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.235 -1.423 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.627 -0.980 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS B 62 11.214 1.327 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS B 62 11.933 0.213 0.038 1.00 0.00 H new ATOM 0 HD2 LYS B 62 13.335 1.718 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS B 62 13.611 1.880 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS B 62 14.105 -0.798 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS B 62 14.570 -0.239 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 16.422 -0.176 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 16.022 1.397 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 15.572 0.855 0.199 1.00 0.00 H new ATOM 2148 N GLN B 63 12.076 0.253 -5.104 1.00 0.00 N ATOM 2149 CA GLN B 63 12.739 1.063 -6.112 1.00 0.00 C ATOM 2150 C GLN B 63 11.685 1.712 -7.011 1.00 0.00 C ATOM 2151 O GLN B 63 11.889 2.864 -7.422 1.00 0.00 O ATOM 2152 CB GLN B 63 13.729 0.238 -6.935 1.00 0.00 C ATOM 2153 CG GLN B 63 15.165 0.465 -6.454 1.00 0.00 C ATOM 2154 CD GLN B 63 15.831 -0.858 -6.073 1.00 0.00 C ATOM 2155 OE1 GLN B 63 16.483 -0.982 -5.049 1.00 0.00 O ATOM 2156 NE2 GLN B 63 15.632 -1.838 -6.951 1.00 0.00 N ATOM 0 H GLN B 63 12.157 -0.752 -5.256 1.00 0.00 H new ATOM 0 HA GLN B 63 13.315 1.841 -5.612 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.479 -0.820 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.647 0.509 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.742 0.954 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.163 1.136 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN B 63 15.076 -1.667 -7.789 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.036 -2.760 -6.786 1.00 0.00 H new ATOM 2165 N ILE B 64 10.597 0.974 -7.294 1.00 0.00 N ATOM 2166 CA ILE B 64 9.524 1.473 -8.137 1.00 0.00 C ATOM 2167 C ILE B 64 8.892 2.699 -7.475 1.00 0.00 C ATOM 2168 O ILE B 64 8.667 3.697 -8.175 1.00 0.00 O ATOM 2169 CB ILE B 64 8.524 0.358 -8.450 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.463 0.082 -9.953 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.146 0.680 -7.869 1.00 0.00 C ATOM 2172 CD1 ILE B 64 7.512 1.055 -10.651 1.00 0.00 C ATOM 0 H ILE B 64 10.448 0.028 -6.944 1.00 0.00 H new ATOM 0 HA ILE B 64 9.916 1.796 -9.102 1.00 0.00 H new ATOM 0 HB ILE B 64 8.870 -0.557 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.460 0.171 -10.383 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.132 -0.942 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.454 -0.128 -8.105 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.223 0.787 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.778 1.611 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE B 64 7.487 0.837 -11.719 1.00 0.00 H new ATOM 0 HD12 ILE B 64 6.510 0.946 -10.235 1.00 0.00 H new ATOM 0 HD13 ILE B 64 7.860 2.077 -10.497 1.00 0.00 H new ATOM 2184 N VAL B 65 8.621 2.603 -6.162 1.00 0.00 N ATOM 2185 CA VAL B 65 8.021 3.695 -5.416 1.00 0.00 C ATOM 2186 C VAL B 65 9.035 4.832 -5.280 1.00 0.00 C ATOM 2187 O VAL B 65 8.631 5.999 -5.384 1.00 0.00 O ATOM 2188 CB VAL B 65 7.505 3.189 -4.068 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.029 4.348 -3.192 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.395 2.153 -4.259 1.00 0.00 C ATOM 0 H VAL B 65 8.813 1.771 -5.604 1.00 0.00 H new ATOM 0 HA VAL B 65 7.157 4.092 -5.950 1.00 0.00 H new ATOM 0 HB VAL B 65 8.334 2.701 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL B 65 6.667 3.960 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL B 65 7.858 5.033 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.222 4.879 -3.697 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.046 1.810 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.565 2.605 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.782 1.306 -4.825 1.00 0.00 H new ATOM 2200 N GLU B 66 10.312 4.475 -5.052 1.00 0.00 N ATOM 2201 CA GLU B 66 11.371 5.458 -4.903 1.00 0.00 C ATOM 2202 C GLU B 66 11.500 6.264 -6.197 1.00 0.00 C ATOM 2203 O GLU B 66 11.845 7.452 -6.120 1.00 0.00 O ATOM 2204 CB GLU B 66 12.702 4.799 -4.534 1.00 0.00 C ATOM 2205 CG GLU B 66 13.026 5.008 -3.053 1.00 0.00 C ATOM 2206 CD GLU B 66 14.438 4.518 -2.726 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.410 4.969 -3.350 1.00 0.00 O ATOM 2208 OE2 GLU B 66 14.506 3.638 -1.786 1.00 0.00 O ATOM 0 H GLU B 66 10.624 3.507 -4.969 1.00 0.00 H new ATOM 0 HA GLU B 66 11.111 6.130 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU B 66 12.657 3.732 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU B 66 13.501 5.216 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU B 66 12.937 6.065 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU B 66 12.301 4.474 -2.439 1.00 0.00 H new ATOM 2215 N LYS B 67 11.222 5.614 -7.341 1.00 0.00 N ATOM 2216 CA LYS B 67 11.306 6.266 -8.637 1.00 0.00 C ATOM 2217 C LYS B 67 10.128 7.231 -8.795 1.00 0.00 C ATOM 2218 O LYS B 67 10.313 8.291 -9.410 1.00 0.00 O ATOM 2219 CB LYS B 67 11.402 5.227 -9.755 1.00 0.00 C ATOM 2220 CG LYS B 67 11.099 5.854 -11.116 1.00 0.00 C ATOM 2221 CD LYS B 67 9.593 5.883 -11.384 1.00 0.00 C ATOM 2222 CE LYS B 67 9.298 5.727 -12.877 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.290 6.462 -13.678 1.00 0.00 N ATOM 0 H LYS B 67 10.938 4.635 -7.382 1.00 0.00 H new ATOM 0 HA LYS B 67 12.218 6.860 -8.706 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.401 4.791 -9.766 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.702 4.414 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS B 67 11.497 6.868 -11.150 1.00 0.00 H new ATOM 0 HG3 LYS B 67 11.601 5.288 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS B 67 9.106 5.082 -10.828 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.174 6.822 -11.023 1.00 0.00 H new ATOM 0 HE2 LYS B 67 9.313 4.671 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS B 67 8.297 6.099 -13.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 9.883 6.695 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 10.553 7.339 -13.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 11.136 5.872 -13.810 1.00 0.00 H new ATOM 2237 N ILE B 68 8.961 6.851 -8.246 1.00 0.00 N ATOM 2238 CA ILE B 68 7.768 7.677 -8.325 1.00 0.00 C ATOM 2239 C ILE B 68 7.909 8.862 -7.368 1.00 0.00 C ATOM 2240 O ILE B 68 7.305 9.911 -7.636 1.00 0.00 O ATOM 2241 CB ILE B 68 6.516 6.833 -8.079 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.978 6.254 -9.390 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.452 7.636 -7.329 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.641 4.770 -9.236 1.00 0.00 C ATOM 0 H ILE B 68 8.830 5.973 -7.744 1.00 0.00 H new ATOM 0 HA ILE B 68 7.655 8.089 -9.328 1.00 0.00 H new ATOM 0 HB ILE B 68 6.792 5.991 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE B 68 5.087 6.803 -9.696 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.718 6.382 -10.179 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.573 7.013 -7.167 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.850 7.958 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE B 68 5.174 8.510 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE B 68 5.261 4.383 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE B 68 6.539 4.220 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.883 4.647 -8.463 1.00 0.00 H new ATOM 2256 N LEU B 69 8.690 8.676 -6.290 1.00 0.00 N ATOM 2257 CA LEU B 69 8.905 9.722 -5.304 1.00 0.00 C ATOM 2258 C LEU B 69 9.885 10.753 -5.869 1.00 0.00 C ATOM 2259 O LEU B 69 9.819 11.919 -5.453 1.00 0.00 O ATOM 2260 CB LEU B 69 9.349 9.119 -3.970 1.00 0.00 C ATOM 2261 CG LEU B 69 8.251 8.460 -3.134 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.424 8.781 -1.649 1.00 0.00 C ATOM 2263 CD2 LEU B 69 6.862 8.850 -3.646 1.00 0.00 C ATOM 0 H LEU B 69 9.180 7.804 -6.089 1.00 0.00 H new ATOM 0 HA LEU B 69 7.973 10.246 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.122 8.377 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.809 9.906 -3.373 1.00 0.00 H new ATOM 0 HG LEU B 69 8.343 7.379 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.630 8.300 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.391 8.412 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.374 9.860 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.100 8.368 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.743 9.932 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.752 8.528 -4.682 1.00 0.00 H new ATOM 2275 N LYS B 70 10.760 10.312 -6.790 1.00 0.00 N ATOM 2276 CA LYS B 70 11.741 11.191 -7.404 1.00 0.00 C ATOM 2277 C LYS B 70 11.026 12.185 -8.320 1.00 0.00 C ATOM 2278 O LYS B 70 11.496 13.327 -8.431 1.00 0.00 O ATOM 2279 CB LYS B 70 12.825 10.373 -8.108 1.00 0.00 C ATOM 2280 CG LYS B 70 12.585 10.332 -9.619 1.00 0.00 C ATOM 2281 CD LYS B 70 13.107 11.604 -10.292 1.00 0.00 C ATOM 2282 CE LYS B 70 12.132 12.098 -11.362 1.00 0.00 C ATOM 2283 NZ LYS B 70 12.834 12.317 -12.637 1.00 0.00 N ATOM 0 H LYS B 70 10.799 9.347 -7.119 1.00 0.00 H new ATOM 0 HA LYS B 70 12.259 11.776 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.804 10.807 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.836 9.358 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.081 9.460 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.519 10.222 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.255 12.382 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS B 70 14.079 11.408 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS B 70 11.334 11.368 -11.500 1.00 0.00 H new ATOM 0 HE3 LYS B 70 11.663 13.026 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 12.158 12.652 -13.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 13.580 13.030 -12.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 13.261 11.424 -12.956 1.00 0.00 H new ATOM 2297 N GLU B 71 9.924 11.740 -8.949 1.00 0.00 N ATOM 2298 CA GLU B 71 9.155 12.586 -9.846 1.00 0.00 C ATOM 2299 C GLU B 71 8.078 13.324 -9.047 1.00 0.00 C ATOM 2300 O GLU B 71 7.329 14.106 -9.650 1.00 0.00 O ATOM 2301 CB GLU B 71 8.535 11.778 -10.986 1.00 0.00 C ATOM 2302 CG GLU B 71 8.019 10.427 -10.484 1.00 0.00 C ATOM 2303 CD GLU B 71 7.520 9.565 -11.645 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.375 9.730 -12.091 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.367 8.697 -12.085 1.00 0.00 O ATOM 0 H GLU B 71 9.554 10.795 -8.845 1.00 0.00 H new ATOM 0 HA GLU B 71 9.826 13.314 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU B 71 7.715 12.341 -11.432 1.00 0.00 H new ATOM 0 HB3 GLU B 71 9.276 11.620 -11.769 1.00 0.00 H new ATOM 0 HG2 GLU B 71 8.815 9.904 -9.954 1.00 0.00 H new ATOM 0 HG3 GLU B 71 7.211 10.585 -9.770 1.00 0.00 H new