USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 GLN :FLIP amide:sc= -0.0195 F(o=-4.2!,f=-1.6) USER MOD Set 1.2: A 95 ASN : amide:sc= -1.57 K(o=-1.6,f=-6.7!) USER MOD Set 2.1: A 2 SER OG : rot -131:sc= 0.568 USER MOD Set 2.2: A 91 ASN : amide:sc= -0.527 K(o=0.041,f=-1.4) USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= 1.04 F(o=0.72,f=1.8) USER MOD Set 3.2: A 57 HIS : no HD1:sc= 0.808 K(o=1.8,f=-3.2!) USER MOD Set 4.1: A 43 ASN : amide:sc= -9.89! C(o=-8.5!,f=-12!) USER MOD Set 4.2: A 59 SER OG : rot 95:sc= 2.08 USER MOD Set 4.3: A 73 CYS SG : rot 180:sc= -0.698 USER MOD Set 5.1: A 14 ASN : amide:sc= 1.21 K(o=3.3,f=0.58) USER MOD Set 5.2: A 18 THR OG1 : rot -94:sc= 2.11 USER MOD Single : A 3 TYR OH : rot 49:sc= 0.362 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -168:sc= -2.38! USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 13 THR OG1 : rot 178:sc= -0.879! USER MOD Single : A 23 CYS SG : rot -76:sc= -4.75! USER MOD Single : A 25 ASN : amide:sc= 0.336 K(o=0.34,f=-9.4!) USER MOD Single : A 29 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.6!) USER MOD Single : A 32 THR OG1 : rot -60:sc= 1.28 USER MOD Single : A 33 SER OG : rot 174:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot -89:sc= 1.09 USER MOD Single : A 40 CYS SG : rot 161:sc= -1.15! USER MOD Single : A 45 ASN : amide:sc= -0.0266 K(o=-0.027,f=-2!) USER MOD Single : A 52 MET CE :methyl 165:sc= -0.0691 (180deg=-0.385) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00734 USER MOD Single : A 58 SER OG : rot 85:sc= 0.0761 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -140:sc= 2.3 (180deg=1.6) USER MOD Single : A 72 THR OG1 : rot 33:sc= 0.723 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 1.63 (180deg=1.55) USER MOD Single : A 77 THR OG1 : rot -102:sc= 1.25 USER MOD Single : A 86 GLN :FLIP amide:sc=-0.00732 F(o=-1.9,f=-0.0073) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.452 F(o=-3.8!,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.699 12.794 -0.548 1.00 0.00 N ATOM 17 CA SER A 2 2.863 11.518 0.117 1.00 0.00 C ATOM 18 C SER A 2 4.287 11.016 -0.080 1.00 0.00 C ATOM 19 O SER A 2 5.085 11.668 -0.756 1.00 0.00 O ATOM 20 CB SER A 2 1.835 10.513 -0.400 1.00 0.00 C ATOM 21 OG SER A 2 1.395 10.870 -1.699 1.00 0.00 O ATOM 0 HA SER A 2 2.691 11.641 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.273 9.515 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.984 10.474 0.280 1.00 0.00 H new ATOM 0 HG SER A 2 0.416 10.848 -1.730 1.00 0.00 H new ATOM 26 N TYR A 3 4.613 9.874 0.501 1.00 0.00 N ATOM 27 CA TYR A 3 5.966 9.337 0.409 1.00 0.00 C ATOM 28 C TYR A 3 6.436 9.195 -1.039 1.00 0.00 C ATOM 29 O TYR A 3 7.580 9.512 -1.353 1.00 0.00 O ATOM 30 CB TYR A 3 6.071 7.991 1.134 1.00 0.00 C ATOM 31 CG TYR A 3 5.655 6.784 0.316 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.317 6.489 0.084 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.615 5.939 -0.228 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.952 5.387 -0.666 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.258 4.838 -0.978 1.00 0.00 C ATOM 36 CZ TYR A 3 4.928 4.567 -1.195 1.00 0.00 C ATOM 37 OH TYR A 3 4.572 3.470 -1.940 1.00 0.00 O ATOM 0 H TYR A 3 3.964 9.300 1.040 1.00 0.00 H new ATOM 0 HA TYR A 3 6.623 10.056 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.102 7.851 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.455 8.031 2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.551 7.130 0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.661 6.149 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.908 5.169 -0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.019 4.193 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 3 3.910 3.733 -2.613 1.00 0.00 H new ATOM 46 N ALA A 4 5.538 8.760 -1.919 1.00 0.00 N ATOM 47 CA ALA A 4 5.863 8.543 -3.329 1.00 0.00 C ATOM 48 C ALA A 4 6.326 9.818 -4.020 1.00 0.00 C ATOM 49 O ALA A 4 6.997 9.761 -5.049 1.00 0.00 O ATOM 50 CB ALA A 4 4.666 7.958 -4.051 1.00 0.00 C ATOM 0 H ALA A 4 4.570 8.549 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 4 6.694 7.839 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.916 7.799 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.395 7.006 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.825 8.647 -3.979 1.00 0.00 H new ATOM 56 N ASP A 5 5.991 10.966 -3.448 1.00 0.00 N ATOM 57 CA ASP A 5 6.389 12.240 -4.029 1.00 0.00 C ATOM 58 C ASP A 5 7.895 12.410 -3.915 1.00 0.00 C ATOM 59 O ASP A 5 8.551 12.946 -4.811 1.00 0.00 O ATOM 60 CB ASP A 5 5.686 13.404 -3.328 1.00 0.00 C ATOM 61 CG ASP A 5 6.127 14.752 -3.867 1.00 0.00 C ATOM 62 OD1 ASP A 5 5.511 15.232 -4.840 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.091 15.333 -3.322 1.00 0.00 O ATOM 0 H ASP A 5 5.448 11.041 -2.588 1.00 0.00 H new ATOM 0 HA ASP A 5 6.098 12.243 -5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.608 13.301 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.891 13.358 -2.258 1.00 0.00 H new ATOM 67 N SER A 6 8.444 11.915 -2.817 1.00 0.00 N ATOM 68 CA SER A 6 9.864 12.018 -2.560 1.00 0.00 C ATOM 69 C SER A 6 10.492 10.633 -2.413 1.00 0.00 C ATOM 70 O SER A 6 11.403 10.435 -1.605 1.00 0.00 O ATOM 71 CB SER A 6 10.087 12.846 -1.298 1.00 0.00 C ATOM 72 OG SER A 6 9.314 14.035 -1.346 1.00 0.00 O ATOM 0 H SER A 6 7.919 11.435 -2.086 1.00 0.00 H new ATOM 0 HA SER A 6 10.345 12.511 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.814 12.262 -0.419 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.144 13.095 -1.200 1.00 0.00 H new ATOM 0 HG SER A 6 9.465 14.556 -0.530 1.00 0.00 H new ATOM 77 N SER A 7 9.983 9.672 -3.174 1.00 0.00 N ATOM 78 CA SER A 7 10.513 8.322 -3.141 1.00 0.00 C ATOM 79 C SER A 7 10.498 7.720 -4.534 1.00 0.00 C ATOM 80 O SER A 7 9.901 8.274 -5.460 1.00 0.00 O ATOM 81 CB SER A 7 9.733 7.433 -2.168 1.00 0.00 C ATOM 82 OG SER A 7 8.390 7.287 -2.570 1.00 0.00 O ATOM 0 H SER A 7 9.205 9.806 -3.820 1.00 0.00 H new ATOM 0 HA SER A 7 11.542 8.376 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.206 6.453 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.770 7.865 -1.168 1.00 0.00 H new ATOM 0 HG SER A 7 7.874 6.876 -1.845 1.00 0.00 H new ATOM 87 N ARG A 8 11.192 6.609 -4.677 1.00 0.00 N ATOM 88 CA ARG A 8 11.287 5.907 -5.945 1.00 0.00 C ATOM 89 C ARG A 8 11.518 4.419 -5.702 1.00 0.00 C ATOM 90 O ARG A 8 11.861 4.022 -4.587 1.00 0.00 O ATOM 91 CB ARG A 8 12.413 6.500 -6.792 1.00 0.00 C ATOM 92 CG ARG A 8 13.714 6.681 -6.030 1.00 0.00 C ATOM 93 CD ARG A 8 14.776 7.336 -6.893 1.00 0.00 C ATOM 94 NE ARG A 8 14.343 8.631 -7.420 1.00 0.00 N ATOM 95 CZ ARG A 8 15.005 9.306 -8.359 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.156 8.841 -8.830 1.00 0.00 N ATOM 97 NH2 ARG A 8 14.526 10.457 -8.811 1.00 0.00 N ATOM 0 H ARG A 8 11.708 6.165 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 8 10.350 6.026 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.591 5.852 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.093 7.466 -7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.536 7.291 -5.144 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.072 5.712 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.685 7.470 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.026 6.674 -7.722 1.00 0.00 H new ATOM 0 HE ARG A 8 13.486 9.040 -7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.536 7.964 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.660 9.360 -9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.650 10.826 -8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.033 10.973 -9.530 1.00 0.00 H new ATOM 108 N ASN A 9 11.348 3.617 -6.750 1.00 0.00 N ATOM 109 CA ASN A 9 11.531 2.164 -6.676 1.00 0.00 C ATOM 110 C ASN A 9 10.587 1.547 -5.650 1.00 0.00 C ATOM 111 O ASN A 9 11.000 0.737 -4.820 1.00 0.00 O ATOM 112 CB ASN A 9 12.983 1.798 -6.336 1.00 0.00 C ATOM 113 CG ASN A 9 13.977 2.278 -7.375 1.00 0.00 C ATOM 114 OD1 ASN A 9 14.583 3.431 -7.128 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 14.217 1.610 -8.381 1.00 0.00 N flip ATOM 0 H ASN A 9 11.080 3.952 -7.675 1.00 0.00 H new ATOM 0 HA ASN A 9 11.296 1.758 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.242 2.227 -5.368 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.065 0.716 -6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.729 0.727 -8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.903 1.939 -9.060 1.00 0.00 H new ATOM 121 N ALA A 10 9.319 1.930 -5.718 1.00 0.00 N ATOM 122 CA ALA A 10 8.315 1.421 -4.794 1.00 0.00 C ATOM 123 C ALA A 10 7.832 0.041 -5.225 1.00 0.00 C ATOM 124 O ALA A 10 7.291 -0.128 -6.322 1.00 0.00 O ATOM 125 CB ALA A 10 7.145 2.392 -4.693 1.00 0.00 C ATOM 0 H ALA A 10 8.961 2.593 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 10 8.772 1.327 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.403 1.997 -3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.503 3.356 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.691 2.518 -5.676 1.00 0.00 H new ATOM 131 N VAL A 11 8.052 -0.945 -4.368 1.00 0.00 N ATOM 132 CA VAL A 11 7.645 -2.317 -4.646 1.00 0.00 C ATOM 133 C VAL A 11 6.794 -2.877 -3.514 1.00 0.00 C ATOM 134 O VAL A 11 6.687 -2.268 -2.445 1.00 0.00 O ATOM 135 CB VAL A 11 8.863 -3.243 -4.865 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.632 -2.838 -6.112 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.780 -3.232 -3.649 1.00 0.00 C ATOM 0 H VAL A 11 8.514 -0.820 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 11 7.057 -2.287 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 11 8.491 -4.258 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.485 -3.504 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.978 -2.907 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.986 -1.813 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.629 -3.891 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.139 -2.218 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.229 -3.579 -2.775 1.00 0.00 H new ATOM 147 N LEU A 12 6.207 -4.046 -3.747 1.00 0.00 N ATOM 148 CA LEU A 12 5.365 -4.692 -2.751 1.00 0.00 C ATOM 149 C LEU A 12 6.105 -5.850 -2.110 1.00 0.00 C ATOM 150 O LEU A 12 6.420 -6.839 -2.774 1.00 0.00 O ATOM 151 CB LEU A 12 4.066 -5.225 -3.378 1.00 0.00 C ATOM 152 CG LEU A 12 3.059 -4.175 -3.857 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.848 -3.114 -2.788 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.505 -3.553 -5.170 1.00 0.00 C ATOM 0 H LEU A 12 6.300 -4.565 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 12 5.116 -3.943 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.330 -5.856 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.571 -5.864 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 12 2.104 -4.670 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.130 -2.376 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.467 -3.582 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.796 -2.622 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.773 -2.811 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.474 -3.072 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.589 -4.329 -5.930 1.00 0.00 H new ATOM 165 N THR A 13 6.379 -5.729 -0.825 1.00 0.00 N ATOM 166 CA THR A 13 7.078 -6.773 -0.100 1.00 0.00 C ATOM 167 C THR A 13 6.140 -7.471 0.880 1.00 0.00 C ATOM 168 O THR A 13 5.029 -6.986 1.147 1.00 0.00 O ATOM 169 CB THR A 13 8.313 -6.212 0.639 1.00 0.00 C ATOM 170 OG1 THR A 13 7.977 -5.002 1.331 1.00 0.00 O ATOM 171 CG2 THR A 13 9.445 -5.943 -0.341 1.00 0.00 C ATOM 0 H THR A 13 6.128 -4.917 -0.261 1.00 0.00 H new ATOM 0 HA THR A 13 7.426 -7.506 -0.828 1.00 0.00 H new ATOM 0 HB THR A 13 8.641 -6.957 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.760 -4.680 1.825 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.306 -5.548 0.198 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.723 -6.872 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.118 -5.216 -1.084 1.00 0.00 H new ATOM 179 N ASN A 14 6.584 -8.618 1.392 1.00 0.00 N ATOM 180 CA ASN A 14 5.806 -9.409 2.345 1.00 0.00 C ATOM 181 C ASN A 14 4.444 -9.783 1.767 1.00 0.00 C ATOM 182 O ASN A 14 3.407 -9.570 2.390 1.00 0.00 O ATOM 183 CB ASN A 14 5.644 -8.644 3.664 1.00 0.00 C ATOM 184 CG ASN A 14 6.938 -8.570 4.451 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.751 -9.496 4.418 1.00 0.00 O ATOM 186 ND2 ASN A 14 7.149 -7.468 5.146 1.00 0.00 N ATOM 0 H ASN A 14 7.490 -9.024 1.159 1.00 0.00 H new ATOM 0 HA ASN A 14 6.348 -10.334 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.291 -7.634 3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.880 -9.129 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.010 -7.360 5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.451 -6.724 5.147 1.00 0.00 H new ATOM 192 N GLY A 15 4.456 -10.326 0.556 1.00 0.00 N ATOM 193 CA GLY A 15 3.224 -10.726 -0.100 1.00 0.00 C ATOM 194 C GLY A 15 2.533 -9.576 -0.806 1.00 0.00 C ATOM 195 O GLY A 15 1.927 -9.759 -1.859 1.00 0.00 O ATOM 0 H GLY A 15 5.302 -10.498 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.442 -11.512 -0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.546 -11.152 0.639 1.00 0.00 H new ATOM 199 N GLY A 16 2.640 -8.388 -0.234 1.00 0.00 N ATOM 200 CA GLY A 16 2.010 -7.219 -0.810 1.00 0.00 C ATOM 201 C GLY A 16 1.318 -6.393 0.250 1.00 0.00 C ATOM 202 O GLY A 16 0.201 -5.918 0.058 1.00 0.00 O ATOM 0 H GLY A 16 3.157 -8.211 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.760 -6.611 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.286 -7.527 -1.565 1.00 0.00 H new ATOM 206 N ARG A 17 1.988 -6.236 1.380 1.00 0.00 N ATOM 207 CA ARG A 17 1.445 -5.476 2.498 1.00 0.00 C ATOM 208 C ARG A 17 2.404 -4.367 2.912 1.00 0.00 C ATOM 209 O ARG A 17 1.989 -3.337 3.447 1.00 0.00 O ATOM 210 CB ARG A 17 1.184 -6.409 3.683 1.00 0.00 C ATOM 211 CG ARG A 17 2.394 -7.251 4.060 1.00 0.00 C ATOM 212 CD ARG A 17 2.107 -8.176 5.228 1.00 0.00 C ATOM 213 NE ARG A 17 1.965 -7.448 6.480 1.00 0.00 N ATOM 214 CZ ARG A 17 2.459 -7.853 7.644 1.00 0.00 C ATOM 215 NH1 ARG A 17 3.125 -8.998 7.732 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.266 -7.111 8.724 1.00 0.00 N ATOM 0 H ARG A 17 2.915 -6.627 1.549 1.00 0.00 H new ATOM 0 HA ARG A 17 0.506 -5.021 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.880 -5.815 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.351 -7.069 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.706 -7.842 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.226 -6.595 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.194 -8.737 5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.914 -8.903 5.321 1.00 0.00 H new ATOM 0 HE ARG A 17 1.451 -6.567 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.261 -9.574 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.501 -9.301 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.742 -6.238 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.641 -7.412 9.623 1.00 0.00 H new ATOM 227 N THR A 18 3.684 -4.589 2.664 1.00 0.00 N ATOM 228 CA THR A 18 4.701 -3.627 3.022 1.00 0.00 C ATOM 229 C THR A 18 5.173 -2.842 1.800 1.00 0.00 C ATOM 230 O THR A 18 5.403 -3.416 0.731 1.00 0.00 O ATOM 231 CB THR A 18 5.902 -4.345 3.660 1.00 0.00 C ATOM 232 OG1 THR A 18 5.438 -5.417 4.494 1.00 0.00 O ATOM 233 CG2 THR A 18 6.738 -3.384 4.484 1.00 0.00 C ATOM 0 H THR A 18 4.040 -5.432 2.214 1.00 0.00 H new ATOM 0 HA THR A 18 4.265 -2.929 3.737 1.00 0.00 H new ATOM 0 HB THR A 18 6.526 -4.744 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.357 -5.101 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.580 -3.919 4.923 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.110 -2.584 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.125 -2.957 5.278 1.00 0.00 H new ATOM 241 N LEU A 19 5.282 -1.531 1.957 1.00 0.00 N ATOM 242 CA LEU A 19 5.746 -0.663 0.885 1.00 0.00 C ATOM 243 C LEU A 19 7.240 -0.430 1.014 1.00 0.00 C ATOM 244 O LEU A 19 7.685 0.230 1.951 1.00 0.00 O ATOM 245 CB LEU A 19 5.035 0.691 0.924 1.00 0.00 C ATOM 246 CG LEU A 19 3.573 0.693 0.488 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.014 2.106 0.547 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.432 0.115 -0.912 1.00 0.00 C ATOM 0 H LEU A 19 5.054 -1.042 2.823 1.00 0.00 H new ATOM 0 HA LEU A 19 5.522 -1.157 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.090 1.079 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.584 1.385 0.288 1.00 0.00 H new ATOM 0 HG LEU A 19 3.002 0.065 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.970 2.098 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.084 2.483 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.587 2.752 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.382 0.125 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.011 0.716 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.802 -0.910 -0.921 1.00 0.00 H new ATOM 259 N ARG A 20 8.009 -0.974 0.089 1.00 0.00 N ATOM 260 CA ARG A 20 9.450 -0.800 0.115 1.00 0.00 C ATOM 261 C ARG A 20 9.872 0.159 -0.988 1.00 0.00 C ATOM 262 O ARG A 20 9.619 -0.097 -2.164 1.00 0.00 O ATOM 263 CB ARG A 20 10.143 -2.152 -0.062 1.00 0.00 C ATOM 264 CG ARG A 20 11.657 -2.085 0.019 1.00 0.00 C ATOM 265 CD ARG A 20 12.264 -3.475 -0.042 1.00 0.00 C ATOM 266 NE ARG A 20 13.723 -3.439 0.000 1.00 0.00 N ATOM 267 CZ ARG A 20 14.454 -4.008 0.956 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.861 -4.625 1.977 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.780 -3.952 0.895 1.00 0.00 N ATOM 0 H ARG A 20 7.662 -1.538 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 20 9.744 -0.381 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.779 -2.838 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.859 -2.571 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.043 -1.479 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.954 -1.594 0.946 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.892 -4.069 0.793 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.940 -3.972 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 20 14.212 -2.948 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.843 -4.663 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.425 -5.060 2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.235 -3.474 0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.343 -4.387 1.626 1.00 0.00 H new ATOM 280 N ALA A 21 10.497 1.266 -0.605 1.00 0.00 N ATOM 281 CA ALA A 21 10.942 2.260 -1.570 1.00 0.00 C ATOM 282 C ALA A 21 12.108 3.077 -1.024 1.00 0.00 C ATOM 283 O ALA A 21 12.402 3.039 0.175 1.00 0.00 O ATOM 284 CB ALA A 21 9.783 3.181 -1.937 1.00 0.00 C ATOM 0 H ALA A 21 10.706 1.496 0.366 1.00 0.00 H new ATOM 0 HA ALA A 21 11.286 1.738 -2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.123 3.923 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.975 2.593 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.422 3.686 -1.041 1.00 0.00 H new ATOM 290 N GLU A 22 12.759 3.820 -1.909 1.00 0.00 N ATOM 291 CA GLU A 22 13.865 4.684 -1.524 1.00 0.00 C ATOM 292 C GLU A 22 13.278 6.030 -1.154 1.00 0.00 C ATOM 293 O GLU A 22 12.804 6.758 -2.024 1.00 0.00 O ATOM 294 CB GLU A 22 14.865 4.851 -2.679 1.00 0.00 C ATOM 295 CG GLU A 22 15.548 3.555 -3.090 1.00 0.00 C ATOM 296 CD GLU A 22 16.513 3.038 -2.039 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.684 3.476 -2.037 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.108 2.182 -1.224 1.00 0.00 O ATOM 0 H GLU A 22 12.538 3.841 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 22 14.405 4.245 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.344 5.266 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.626 5.575 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.790 2.796 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.087 3.714 -4.024 1.00 0.00 H new ATOM 303 N CYS A 23 13.277 6.344 0.127 1.00 0.00 N ATOM 304 CA CYS A 23 12.708 7.592 0.595 1.00 0.00 C ATOM 305 C CYS A 23 13.785 8.647 0.753 1.00 0.00 C ATOM 306 O CYS A 23 14.830 8.394 1.345 1.00 0.00 O ATOM 307 CB CYS A 23 11.992 7.357 1.924 1.00 0.00 C ATOM 308 SG CYS A 23 10.786 6.014 1.864 1.00 0.00 S ATOM 0 H CYS A 23 13.664 5.752 0.862 1.00 0.00 H new ATOM 0 HA CYS A 23 11.990 7.953 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.733 7.136 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.487 8.275 2.223 1.00 0.00 H new ATOM 0 HG CYS A 23 9.716 6.419 1.248 1.00 0.00 H new ATOM 313 N ARG A 24 13.556 9.817 0.187 1.00 0.00 N ATOM 314 CA ARG A 24 14.505 10.892 0.292 1.00 0.00 C ATOM 315 C ARG A 24 14.321 11.626 1.608 1.00 0.00 C ATOM 316 O ARG A 24 13.252 12.185 1.874 1.00 0.00 O ATOM 317 CB ARG A 24 14.319 11.834 -0.883 1.00 0.00 C ATOM 318 CG ARG A 24 15.394 12.883 -1.006 1.00 0.00 C ATOM 319 CD ARG A 24 15.484 13.344 -2.437 1.00 0.00 C ATOM 320 NE ARG A 24 16.275 14.561 -2.580 1.00 0.00 N ATOM 321 CZ ARG A 24 17.414 14.624 -3.263 1.00 0.00 C ATOM 322 NH1 ARG A 24 17.897 13.540 -3.861 1.00 0.00 N ATOM 323 NH2 ARG A 24 18.072 15.770 -3.352 1.00 0.00 N ATOM 0 H ARG A 24 12.718 10.040 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 24 15.519 10.492 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.290 11.249 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.352 12.329 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.169 13.727 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.352 12.477 -0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.926 12.553 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.480 13.519 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 24 15.935 15.411 -2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.394 12.655 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.771 13.593 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.705 16.605 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.946 15.817 -3.876 1.00 0.00 H new ATOM 334 N ASN A 25 15.349 11.597 2.439 1.00 0.00 N ATOM 335 CA ASN A 25 15.297 12.268 3.726 1.00 0.00 C ATOM 336 C ASN A 25 15.567 13.755 3.547 1.00 0.00 C ATOM 337 O ASN A 25 16.041 14.174 2.484 1.00 0.00 O ATOM 338 CB ASN A 25 16.275 11.638 4.733 1.00 0.00 C ATOM 339 CG ASN A 25 17.722 11.622 4.272 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.170 12.495 3.533 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.465 10.621 4.714 1.00 0.00 N ATOM 0 H ASN A 25 16.228 11.117 2.246 1.00 0.00 H new ATOM 0 HA ASN A 25 14.296 12.143 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.212 12.185 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 25 15.959 10.615 4.937 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.446 10.555 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.057 9.915 5.327 1.00 0.00 H new ATOM 347 N ALA A 26 15.282 14.536 4.588 1.00 0.00 N ATOM 348 CA ALA A 26 15.457 15.990 4.563 1.00 0.00 C ATOM 349 C ALA A 26 16.881 16.394 4.200 1.00 0.00 C ATOM 350 O ALA A 26 17.108 17.481 3.664 1.00 0.00 O ATOM 351 CB ALA A 26 15.073 16.584 5.909 1.00 0.00 C ATOM 0 H ALA A 26 14.923 14.180 5.474 1.00 0.00 H new ATOM 0 HA ALA A 26 14.800 16.384 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.206 17.665 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.030 16.353 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.707 16.160 6.688 1.00 0.00 H new ATOM 357 N ASP A 27 17.837 15.517 4.478 1.00 0.00 N ATOM 358 CA ASP A 27 19.234 15.794 4.168 1.00 0.00 C ATOM 359 C ASP A 27 19.456 15.744 2.659 1.00 0.00 C ATOM 360 O ASP A 27 20.456 16.246 2.145 1.00 0.00 O ATOM 361 CB ASP A 27 20.153 14.797 4.880 1.00 0.00 C ATOM 362 CG ASP A 27 21.624 15.086 4.643 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.129 16.098 5.172 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.283 14.301 3.936 1.00 0.00 O ATOM 0 H ASP A 27 17.672 14.611 4.916 1.00 0.00 H new ATOM 0 HA ASP A 27 19.478 16.795 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 27 19.950 14.822 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 27 19.925 13.788 4.536 1.00 0.00 H new ATOM 368 N GLY A 28 18.496 15.155 1.958 1.00 0.00 N ATOM 369 CA GLY A 28 18.572 15.041 0.517 1.00 0.00 C ATOM 370 C GLY A 28 19.189 13.733 0.079 1.00 0.00 C ATOM 371 O GLY A 28 19.736 13.634 -1.018 1.00 0.00 O ATOM 0 H GLY A 28 17.656 14.749 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.571 15.128 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.159 15.869 0.119 1.00 0.00 H new ATOM 375 N ASN A 29 19.101 12.724 0.930 1.00 0.00 N ATOM 376 CA ASN A 29 19.670 11.423 0.628 1.00 0.00 C ATOM 377 C ASN A 29 18.593 10.352 0.538 1.00 0.00 C ATOM 378 O ASN A 29 17.490 10.521 1.057 1.00 0.00 O ATOM 379 CB ASN A 29 20.693 11.057 1.697 1.00 0.00 C ATOM 380 CG ASN A 29 22.089 11.548 1.360 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.456 11.655 0.191 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.879 11.843 2.379 1.00 0.00 N ATOM 0 H ASN A 29 18.639 12.782 1.838 1.00 0.00 H new ATOM 0 HA ASN A 29 20.160 11.478 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.383 11.481 2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.712 9.974 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.829 12.172 2.209 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.538 11.741 3.335 1.00 0.00 H new ATOM 388 N TRP A 30 18.920 9.246 -0.119 1.00 0.00 N ATOM 389 CA TRP A 30 17.974 8.150 -0.290 1.00 0.00 C ATOM 390 C TRP A 30 18.156 7.074 0.769 1.00 0.00 C ATOM 391 O TRP A 30 19.240 6.503 0.917 1.00 0.00 O ATOM 392 CB TRP A 30 18.123 7.522 -1.676 1.00 0.00 C ATOM 393 CG TRP A 30 17.733 8.440 -2.790 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.559 9.009 -3.714 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.416 8.902 -3.091 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.828 9.788 -4.576 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.513 9.738 -4.214 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.164 8.683 -2.525 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.404 10.362 -4.775 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.065 9.303 -3.084 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.189 10.132 -4.200 1.00 0.00 C ATOM 0 H TRP A 30 19.834 9.084 -0.542 1.00 0.00 H new ATOM 0 HA TRP A 30 16.975 8.573 -0.183 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.158 7.212 -1.817 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.511 6.622 -1.726 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.629 8.868 -3.761 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.207 10.319 -5.361 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.054 8.040 -1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.502 11.006 -5.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.089 9.143 -2.649 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.308 10.599 -4.615 1.00 0.00 H new ATOM 411 N VAL A 31 17.090 6.801 1.504 1.00 0.00 N ATOM 412 CA VAL A 31 17.106 5.775 2.533 1.00 0.00 C ATOM 413 C VAL A 31 16.024 4.734 2.269 1.00 0.00 C ATOM 414 O VAL A 31 14.885 5.074 1.945 1.00 0.00 O ATOM 415 CB VAL A 31 16.914 6.360 3.950 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.199 7.001 4.449 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.782 7.375 3.983 1.00 0.00 C ATOM 0 H VAL A 31 16.195 7.281 1.405 1.00 0.00 H new ATOM 0 HA VAL A 31 18.090 5.307 2.491 1.00 0.00 H new ATOM 0 HB VAL A 31 16.652 5.533 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.039 7.406 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.990 6.252 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.490 7.806 3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.674 7.767 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.007 8.193 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.853 6.893 3.679 1.00 0.00 H new ATOM 427 N THR A 32 16.392 3.469 2.383 1.00 0.00 N ATOM 428 CA THR A 32 15.454 2.380 2.169 1.00 0.00 C ATOM 429 C THR A 32 14.519 2.254 3.364 1.00 0.00 C ATOM 430 O THR A 32 14.950 1.909 4.467 1.00 0.00 O ATOM 431 CB THR A 32 16.196 1.048 1.956 1.00 0.00 C ATOM 432 OG1 THR A 32 17.211 1.210 0.953 1.00 0.00 O ATOM 433 CG2 THR A 32 15.231 -0.052 1.535 1.00 0.00 C ATOM 0 H THR A 32 17.337 3.170 2.623 1.00 0.00 H new ATOM 0 HA THR A 32 14.875 2.604 1.273 1.00 0.00 H new ATOM 0 HB THR A 32 16.658 0.759 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.795 1.480 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.780 -0.982 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.478 -0.192 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.743 0.229 0.602 1.00 0.00 H new ATOM 441 N SER A 33 13.248 2.541 3.148 1.00 0.00 N ATOM 442 CA SER A 33 12.262 2.466 4.212 1.00 0.00 C ATOM 443 C SER A 33 11.063 1.625 3.790 1.00 0.00 C ATOM 444 O SER A 33 10.759 1.516 2.600 1.00 0.00 O ATOM 445 CB SER A 33 11.818 3.875 4.611 1.00 0.00 C ATOM 446 OG SER A 33 12.893 4.607 5.178 1.00 0.00 O ATOM 0 H SER A 33 12.873 2.829 2.244 1.00 0.00 H new ATOM 0 HA SER A 33 12.720 1.982 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.437 4.401 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.999 3.813 5.327 1.00 0.00 H new ATOM 0 HG SER A 33 12.613 5.534 5.331 1.00 0.00 H new ATOM 451 N GLU A 34 10.389 1.036 4.775 1.00 0.00 N ATOM 452 CA GLU A 34 9.226 0.194 4.524 1.00 0.00 C ATOM 453 C GLU A 34 8.122 0.478 5.541 1.00 0.00 C ATOM 454 O GLU A 34 8.401 0.769 6.706 1.00 0.00 O ATOM 455 CB GLU A 34 9.602 -1.292 4.587 1.00 0.00 C ATOM 456 CG GLU A 34 10.568 -1.738 3.501 1.00 0.00 C ATOM 457 CD GLU A 34 10.862 -3.225 3.556 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.697 -3.636 4.389 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.272 -3.989 2.760 1.00 0.00 O ATOM 0 H GLU A 34 10.632 1.129 5.761 1.00 0.00 H new ATOM 0 HA GLU A 34 8.861 0.427 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.045 -1.502 5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.693 -1.889 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.151 -1.490 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.501 -1.183 3.600 1.00 0.00 H new ATOM 464 N LEU A 35 6.877 0.404 5.091 1.00 0.00 N ATOM 465 CA LEU A 35 5.725 0.629 5.961 1.00 0.00 C ATOM 466 C LEU A 35 4.651 -0.409 5.650 1.00 0.00 C ATOM 467 O LEU A 35 4.298 -0.614 4.488 1.00 0.00 O ATOM 468 CB LEU A 35 5.167 2.054 5.769 1.00 0.00 C ATOM 469 CG LEU A 35 4.292 2.616 6.911 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.931 1.944 6.951 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.996 2.452 8.249 1.00 0.00 C ATOM 0 H LEU A 35 6.636 0.189 4.124 1.00 0.00 H new ATOM 0 HA LEU A 35 6.037 0.528 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.008 2.731 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.579 2.068 4.851 1.00 0.00 H new ATOM 0 HG LEU A 35 4.137 3.677 6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.342 2.364 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.414 2.112 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.058 0.873 7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.366 2.853 9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.184 1.394 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.943 2.991 8.230 1.00 0.00 H new ATOM 482 N ASP A 36 4.157 -1.073 6.683 1.00 0.00 N ATOM 483 CA ASP A 36 3.116 -2.083 6.520 1.00 0.00 C ATOM 484 C ASP A 36 1.748 -1.420 6.553 1.00 0.00 C ATOM 485 O ASP A 36 1.296 -0.953 7.600 1.00 0.00 O ATOM 486 CB ASP A 36 3.203 -3.141 7.625 1.00 0.00 C ATOM 487 CG ASP A 36 4.497 -3.928 7.591 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.566 -4.934 6.859 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.452 -3.549 8.307 1.00 0.00 O ATOM 0 H ASP A 36 4.459 -0.932 7.647 1.00 0.00 H new ATOM 0 HA ASP A 36 3.262 -2.575 5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.106 -2.654 8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.363 -3.829 7.528 1.00 0.00 H new ATOM 493 N LEU A 37 1.091 -1.387 5.405 1.00 0.00 N ATOM 494 CA LEU A 37 -0.218 -0.756 5.288 1.00 0.00 C ATOM 495 C LEU A 37 -1.349 -1.667 5.746 1.00 0.00 C ATOM 496 O LEU A 37 -2.446 -1.193 6.039 1.00 0.00 O ATOM 497 CB LEU A 37 -0.484 -0.358 3.841 1.00 0.00 C ATOM 498 CG LEU A 37 0.740 0.048 3.033 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.325 0.384 1.616 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.442 1.229 3.679 1.00 0.00 C ATOM 0 H LEU A 37 1.442 -1.791 4.537 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.196 0.121 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.969 -1.194 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.192 0.471 3.836 1.00 0.00 H new ATOM 0 HG LEU A 37 1.441 -0.786 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.203 0.675 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.139 -0.489 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.388 1.208 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.314 1.503 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.757 2.076 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.759 0.957 4.686 1.00 0.00 H new ATOM 511 N ASP A 38 -1.091 -2.969 5.823 1.00 0.00 N ATOM 512 CA ASP A 38 -2.126 -3.928 6.224 1.00 0.00 C ATOM 513 C ASP A 38 -2.555 -3.715 7.669 1.00 0.00 C ATOM 514 O ASP A 38 -3.495 -4.351 8.146 1.00 0.00 O ATOM 515 CB ASP A 38 -1.645 -5.366 6.043 1.00 0.00 C ATOM 516 CG ASP A 38 -0.565 -5.735 7.031 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.575 -5.260 6.861 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.849 -6.500 7.972 1.00 0.00 O ATOM 0 H ASP A 38 -0.183 -3.386 5.616 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.985 -3.756 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.489 -6.047 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.267 -5.496 5.029 1.00 0.00 H new ATOM 522 N THR A 39 -1.864 -2.821 8.353 1.00 0.00 N ATOM 523 CA THR A 39 -2.166 -2.505 9.733 1.00 0.00 C ATOM 524 C THR A 39 -3.367 -1.568 9.825 1.00 0.00 C ATOM 525 O THR A 39 -4.044 -1.514 10.851 1.00 0.00 O ATOM 526 CB THR A 39 -0.950 -1.847 10.411 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.540 -0.695 9.659 1.00 0.00 O ATOM 528 CG2 THR A 39 0.207 -2.827 10.506 1.00 0.00 C ATOM 0 H THR A 39 -1.080 -2.296 7.966 1.00 0.00 H new ATOM 0 HA THR A 39 -2.405 -3.437 10.246 1.00 0.00 H new ATOM 0 HB THR A 39 -1.238 -1.546 11.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.109 -0.964 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.056 -2.342 10.988 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.097 -3.693 11.093 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.494 -3.150 9.505 1.00 0.00 H new ATOM 536 N CYS A 40 -3.631 -0.832 8.749 1.00 0.00 N ATOM 537 CA CYS A 40 -4.749 0.103 8.738 1.00 0.00 C ATOM 538 C CYS A 40 -5.630 -0.069 7.498 1.00 0.00 C ATOM 539 O CYS A 40 -6.712 0.515 7.421 1.00 0.00 O ATOM 540 CB CYS A 40 -4.239 1.540 8.831 1.00 0.00 C ATOM 541 SG CYS A 40 -5.529 2.760 9.182 1.00 0.00 S ATOM 0 H CYS A 40 -3.092 -0.864 7.883 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.366 -0.116 9.609 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.480 1.595 9.611 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.751 1.803 7.892 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.984 3.852 9.630 1.00 0.00 H new ATOM 546 N ILE A 41 -5.175 -0.844 6.521 1.00 0.00 N ATOM 547 CA ILE A 41 -5.974 -1.080 5.324 1.00 0.00 C ATOM 548 C ILE A 41 -6.668 -2.425 5.430 1.00 0.00 C ATOM 549 O ILE A 41 -6.031 -3.445 5.712 1.00 0.00 O ATOM 550 CB ILE A 41 -5.148 -1.059 4.017 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.409 0.266 3.857 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.061 -1.294 2.817 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.634 0.370 2.559 1.00 0.00 C ATOM 0 H ILE A 41 -4.270 -1.314 6.532 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.693 -0.262 5.272 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.409 -1.858 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.128 1.083 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.722 0.393 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.470 -1.277 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.550 -2.263 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.816 -0.509 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.133 1.337 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.891 -0.426 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.320 0.274 1.717 1.00 0.00 H new ATOM 564 N GLY A 42 -7.970 -2.425 5.209 1.00 0.00 N ATOM 565 CA GLY A 42 -8.725 -3.651 5.283 1.00 0.00 C ATOM 566 C GLY A 42 -9.805 -3.715 4.238 1.00 0.00 C ATOM 567 O GLY A 42 -10.331 -2.681 3.811 1.00 0.00 O ATOM 0 H GLY A 42 -8.518 -1.596 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.051 -4.499 5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.173 -3.741 6.273 1.00 0.00 H new ATOM 571 N ASN A 43 -10.134 -4.926 3.820 1.00 0.00 N ATOM 572 CA ASN A 43 -11.158 -5.137 2.808 1.00 0.00 C ATOM 573 C ASN A 43 -11.760 -6.547 2.881 1.00 0.00 C ATOM 574 O ASN A 43 -11.923 -7.201 1.853 1.00 0.00 O ATOM 575 CB ASN A 43 -10.560 -4.900 1.414 1.00 0.00 C ATOM 576 CG ASN A 43 -9.427 -5.857 1.082 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.755 -6.383 1.965 1.00 0.00 O ATOM 578 ND2 ASN A 43 -9.186 -6.063 -0.196 1.00 0.00 N ATOM 0 H ASN A 43 -9.704 -5.783 4.168 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.963 -4.426 2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.346 -5.003 0.666 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.193 -3.876 1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.421 -6.676 -0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.764 -5.610 -0.904 1.00 0.00 H new ATOM 584 N PRO A 44 -12.153 -7.029 4.081 1.00 0.00 N ATOM 585 CA PRO A 44 -12.721 -8.372 4.221 1.00 0.00 C ATOM 586 C PRO A 44 -14.137 -8.450 3.665 1.00 0.00 C ATOM 587 O PRO A 44 -14.657 -9.532 3.390 1.00 0.00 O ATOM 588 CB PRO A 44 -12.717 -8.607 5.732 1.00 0.00 C ATOM 589 CG PRO A 44 -12.815 -7.248 6.328 1.00 0.00 C ATOM 590 CD PRO A 44 -12.115 -6.316 5.375 1.00 0.00 C ATOM 0 HA PRO A 44 -12.154 -9.120 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.555 -9.234 6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.806 -9.114 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.857 -6.957 6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.347 -7.221 7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.622 -5.353 5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.091 -6.118 5.691 1.00 0.00 H new ATOM 595 N ASN A 45 -14.751 -7.285 3.488 1.00 0.00 N ATOM 596 CA ASN A 45 -16.107 -7.205 2.961 1.00 0.00 C ATOM 597 C ASN A 45 -16.081 -7.027 1.452 1.00 0.00 C ATOM 598 O ASN A 45 -17.121 -7.049 0.794 1.00 0.00 O ATOM 599 CB ASN A 45 -16.886 -6.045 3.598 1.00 0.00 C ATOM 600 CG ASN A 45 -17.190 -6.259 5.073 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.412 -6.866 5.807 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.335 -5.762 5.513 1.00 0.00 N ATOM 0 H ASN A 45 -14.329 -6.381 3.703 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.611 -8.140 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.312 -5.125 3.483 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.823 -5.906 3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.598 -5.877 6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.954 -5.264 4.873 1.00 0.00 H new ATOM 608 N GLY A 46 -14.886 -6.856 0.905 1.00 0.00 N ATOM 609 CA GLY A 46 -14.756 -6.678 -0.521 1.00 0.00 C ATOM 610 C GLY A 46 -14.547 -5.231 -0.916 1.00 0.00 C ATOM 611 O GLY A 46 -14.560 -4.899 -2.101 1.00 0.00 O ATOM 0 H GLY A 46 -14.008 -6.838 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.917 -7.273 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.651 -7.058 -1.013 1.00 0.00 H new ATOM 615 N PHE A 47 -14.365 -4.360 0.068 1.00 0.00 N ATOM 616 CA PHE A 47 -14.155 -2.946 -0.214 1.00 0.00 C ATOM 617 C PHE A 47 -12.877 -2.438 0.432 1.00 0.00 C ATOM 618 O PHE A 47 -12.636 -2.657 1.618 1.00 0.00 O ATOM 619 CB PHE A 47 -15.355 -2.122 0.243 1.00 0.00 C ATOM 620 CG PHE A 47 -16.610 -2.485 -0.490 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.728 -2.229 -1.847 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.664 -3.092 0.172 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.877 -2.573 -2.530 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.816 -3.437 -0.505 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.923 -3.178 -1.858 1.00 0.00 C ATOM 0 H PHE A 47 -14.358 -4.604 1.058 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.050 -2.833 -1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.507 -2.269 1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.143 -1.063 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.913 -1.756 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.584 -3.298 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.959 -2.370 -3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.632 -3.909 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.823 -3.448 -2.390 1.00 0.00 H new ATOM 634 N LEU A 48 -12.081 -1.743 -0.358 1.00 0.00 N ATOM 635 CA LEU A 48 -10.807 -1.203 0.094 1.00 0.00 C ATOM 636 C LEU A 48 -10.990 0.131 0.802 1.00 0.00 C ATOM 637 O LEU A 48 -11.759 0.983 0.353 1.00 0.00 O ATOM 638 CB LEU A 48 -9.882 -1.014 -1.106 1.00 0.00 C ATOM 639 CG LEU A 48 -9.351 -2.300 -1.735 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.654 -1.995 -3.048 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.396 -2.994 -0.782 1.00 0.00 C ATOM 0 H LEU A 48 -12.297 -1.535 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.370 -1.908 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.417 -0.450 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.033 -0.404 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.192 -2.965 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.280 -2.921 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.360 -1.528 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.820 -1.316 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.024 -3.910 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.558 -2.333 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.919 -3.239 0.143 1.00 0.00 H new ATOM 652 N GLY A 49 -10.278 0.306 1.903 1.00 0.00 N ATOM 653 CA GLY A 49 -10.356 1.541 2.647 1.00 0.00 C ATOM 654 C GLY A 49 -9.506 1.500 3.896 1.00 0.00 C ATOM 655 O GLY A 49 -8.975 0.445 4.256 1.00 0.00 O ATOM 0 H GLY A 49 -9.644 -0.390 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.032 2.367 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.393 1.736 2.920 1.00 0.00 H new ATOM 659 N TRP A 50 -9.376 2.641 4.554 1.00 0.00 N ATOM 660 CA TRP A 50 -8.582 2.733 5.767 1.00 0.00 C ATOM 661 C TRP A 50 -9.479 2.602 6.995 1.00 0.00 C ATOM 662 O TRP A 50 -10.451 3.345 7.154 1.00 0.00 O ATOM 663 CB TRP A 50 -7.819 4.062 5.808 1.00 0.00 C ATOM 664 CG TRP A 50 -6.816 4.229 4.700 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.032 4.772 3.463 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.433 3.856 4.734 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.866 4.761 2.731 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.874 4.198 3.488 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.614 3.264 5.697 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.534 3.970 3.184 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.284 3.036 5.391 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.757 3.386 4.145 1.00 0.00 C ATOM 0 H TRP A 50 -9.811 3.518 4.267 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.859 1.917 5.771 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.536 4.882 5.761 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.304 4.143 6.765 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -7.979 5.154 3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.759 5.114 1.780 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.011 2.989 6.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.124 4.245 2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.641 2.579 6.129 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.715 3.191 3.937 1.00 0.00 H new ATOM 682 N GLY A 51 -9.150 1.657 7.857 1.00 0.00 N ATOM 683 CA GLY A 51 -9.932 1.423 9.055 1.00 0.00 C ATOM 684 C GLY A 51 -9.772 0.003 9.533 1.00 0.00 C ATOM 685 O GLY A 51 -9.346 -0.248 10.661 1.00 0.00 O ATOM 0 H GLY A 51 -8.346 1.039 7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.619 2.112 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.984 1.627 8.853 1.00 0.00 H new ATOM 689 N MET A 52 -10.116 -0.926 8.660 1.00 0.00 N ATOM 690 CA MET A 52 -9.998 -2.343 8.946 1.00 0.00 C ATOM 691 C MET A 52 -8.559 -2.771 8.672 1.00 0.00 C ATOM 692 O MET A 52 -7.771 -1.969 8.190 1.00 0.00 O ATOM 693 CB MET A 52 -10.991 -3.112 8.066 1.00 0.00 C ATOM 694 CG MET A 52 -11.166 -4.574 8.443 1.00 0.00 C ATOM 695 SD MET A 52 -11.698 -4.792 10.151 1.00 0.00 S ATOM 696 CE MET A 52 -13.283 -3.953 10.131 1.00 0.00 C ATOM 0 H MET A 52 -10.485 -0.719 7.732 1.00 0.00 H new ATOM 0 HA MET A 52 -10.233 -2.557 9.989 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.961 -2.618 8.118 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.659 -3.054 7.029 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.898 -5.032 7.777 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.224 -5.100 8.290 1.00 0.00 H new ATOM 0 HE1 MET A 52 -13.850 -4.225 11.021 1.00 0.00 H new ATOM 0 HE2 MET A 52 -13.124 -2.875 10.117 1.00 0.00 H new ATOM 0 HE3 MET A 52 -13.840 -4.249 9.242 1.00 0.00 H new ATOM 704 N GLN A 53 -8.196 -4.005 8.976 1.00 0.00 N ATOM 705 CA GLN A 53 -6.830 -4.448 8.733 1.00 0.00 C ATOM 706 C GLN A 53 -6.790 -5.797 8.020 1.00 0.00 C ATOM 707 O GLN A 53 -7.833 -6.401 7.761 1.00 0.00 O ATOM 708 CB GLN A 53 -6.053 -4.512 10.047 1.00 0.00 C ATOM 709 CG GLN A 53 -6.664 -5.435 11.084 1.00 0.00 C ATOM 710 CD GLN A 53 -5.865 -5.451 12.368 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.951 -6.258 12.534 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.196 -4.557 13.283 1.00 0.00 N ATOM 0 H GLN A 53 -8.813 -4.708 9.384 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.357 -3.718 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.035 -4.841 9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.985 -3.508 10.465 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.685 -5.117 11.296 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.722 -6.446 10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.961 -3.905 13.106 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.687 -4.519 14.166 1.00 0.00 H new ATOM 719 N ASN A 54 -5.571 -6.241 7.698 1.00 0.00 N ATOM 720 CA ASN A 54 -5.334 -7.517 7.015 1.00 0.00 C ATOM 721 C ASN A 54 -5.918 -7.538 5.608 1.00 0.00 C ATOM 722 O ASN A 54 -6.508 -8.536 5.185 1.00 0.00 O ATOM 723 CB ASN A 54 -5.881 -8.704 7.819 1.00 0.00 C ATOM 724 CG ASN A 54 -4.871 -9.259 8.803 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.920 -8.787 10.038 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -4.060 -10.119 8.452 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.717 -5.723 7.905 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.251 -7.616 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.774 -8.391 8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.185 -9.494 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.057 -10.455 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.392 -10.495 9.125 1.00 0.00 H new ATOM 732 N PHE A 55 -5.737 -6.447 4.869 1.00 0.00 N ATOM 733 CA PHE A 55 -6.244 -6.377 3.503 1.00 0.00 C ATOM 734 C PHE A 55 -5.456 -7.325 2.605 1.00 0.00 C ATOM 735 O PHE A 55 -5.960 -7.797 1.594 1.00 0.00 O ATOM 736 CB PHE A 55 -6.170 -4.948 2.946 1.00 0.00 C ATOM 737 CG PHE A 55 -4.830 -4.571 2.369 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.749 -4.323 3.195 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.656 -4.468 0.997 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.519 -3.978 2.669 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.428 -4.123 0.464 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.358 -3.878 1.302 1.00 0.00 C ATOM 0 H PHE A 55 -5.250 -5.610 5.188 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.292 -6.677 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.930 -4.833 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.418 -4.247 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.868 -4.400 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.489 -4.660 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.684 -3.787 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.306 -4.045 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.397 -3.609 0.888 1.00 0.00 H new ATOM 751 N SER A 56 -4.219 -7.610 3.000 1.00 0.00 N ATOM 752 CA SER A 56 -3.343 -8.490 2.239 1.00 0.00 C ATOM 753 C SER A 56 -3.965 -9.873 2.058 1.00 0.00 C ATOM 754 O SER A 56 -3.940 -10.441 0.968 1.00 0.00 O ATOM 755 CB SER A 56 -1.994 -8.596 2.953 1.00 0.00 C ATOM 756 OG SER A 56 -2.182 -8.810 4.348 1.00 0.00 O ATOM 0 H SER A 56 -3.799 -7.239 3.852 1.00 0.00 H new ATOM 0 HA SER A 56 -3.198 -8.067 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.415 -9.416 2.528 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.419 -7.684 2.794 1.00 0.00 H new ATOM 0 HG SER A 56 -1.309 -8.877 4.789 1.00 0.00 H new ATOM 761 N HIS A 57 -4.560 -10.394 3.122 1.00 0.00 N ATOM 762 CA HIS A 57 -5.183 -11.711 3.076 1.00 0.00 C ATOM 763 C HIS A 57 -6.568 -11.645 2.437 1.00 0.00 C ATOM 764 O HIS A 57 -7.170 -12.672 2.119 1.00 0.00 O ATOM 765 CB HIS A 57 -5.288 -12.310 4.477 1.00 0.00 C ATOM 766 CG HIS A 57 -3.965 -12.578 5.118 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.562 -11.965 6.277 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.952 -13.398 4.755 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.356 -12.391 6.604 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.961 -13.262 5.696 1.00 0.00 N ATOM 0 H HIS A 57 -4.625 -9.927 4.026 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.549 -12.352 2.463 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.858 -11.630 5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.851 -13.242 4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.927 -14.040 3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.789 -12.079 7.469 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.067 -13.753 5.693 1.00 0.00 H new ATOM 778 N SER A 58 -7.060 -10.434 2.226 1.00 0.00 N ATOM 779 CA SER A 58 -8.377 -10.248 1.646 1.00 0.00 C ATOM 780 C SER A 58 -8.296 -9.612 0.256 1.00 0.00 C ATOM 781 O SER A 58 -9.287 -9.085 -0.248 1.00 0.00 O ATOM 782 CB SER A 58 -9.228 -9.381 2.575 1.00 0.00 C ATOM 783 OG SER A 58 -9.161 -9.853 3.913 1.00 0.00 O ATOM 0 H SER A 58 -6.567 -9.569 2.448 1.00 0.00 H new ATOM 0 HA SER A 58 -8.841 -11.228 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.883 -8.348 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.264 -9.385 2.235 1.00 0.00 H new ATOM 0 HG SER A 58 -8.366 -9.483 4.351 1.00 0.00 H new ATOM 788 N SER A 59 -7.127 -9.665 -0.371 1.00 0.00 N ATOM 789 CA SER A 59 -6.971 -9.087 -1.699 1.00 0.00 C ATOM 790 C SER A 59 -6.282 -10.051 -2.642 1.00 0.00 C ATOM 791 O SER A 59 -5.381 -10.792 -2.249 1.00 0.00 O ATOM 792 CB SER A 59 -6.158 -7.795 -1.650 1.00 0.00 C ATOM 793 OG SER A 59 -6.717 -6.863 -0.750 1.00 0.00 O ATOM 0 H SER A 59 -6.285 -10.095 0.012 1.00 0.00 H new ATOM 0 HA SER A 59 -7.975 -8.873 -2.065 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.134 -8.020 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.111 -7.356 -2.647 1.00 0.00 H new ATOM 0 HG SER A 59 -6.272 -6.941 0.120 1.00 0.00 H new ATOM 798 N GLU A 60 -6.713 -10.027 -3.888 1.00 0.00 N ATOM 799 CA GLU A 60 -6.132 -10.867 -4.915 1.00 0.00 C ATOM 800 C GLU A 60 -5.425 -10.003 -5.942 1.00 0.00 C ATOM 801 O GLU A 60 -5.967 -8.989 -6.389 1.00 0.00 O ATOM 802 CB GLU A 60 -7.197 -11.723 -5.598 1.00 0.00 C ATOM 803 CG GLU A 60 -7.905 -12.674 -4.656 1.00 0.00 C ATOM 804 CD GLU A 60 -6.951 -13.533 -3.856 1.00 0.00 C ATOM 805 OE1 GLU A 60 -6.095 -14.211 -4.464 1.00 0.00 O ATOM 806 OE2 GLU A 60 -7.056 -13.542 -2.612 1.00 0.00 O ATOM 0 H GLU A 60 -7.471 -9.428 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.413 -11.537 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.935 -11.069 -6.063 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.731 -12.297 -6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.530 -12.100 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.570 -13.318 -5.231 1.00 0.00 H new ATOM 811 N ASP A 61 -4.223 -10.419 -6.303 1.00 0.00 N ATOM 812 CA ASP A 61 -3.389 -9.698 -7.273 1.00 0.00 C ATOM 813 C ASP A 61 -3.135 -8.257 -6.826 1.00 0.00 C ATOM 814 O ASP A 61 -3.785 -7.315 -7.286 1.00 0.00 O ATOM 815 CB ASP A 61 -4.029 -9.729 -8.666 1.00 0.00 C ATOM 816 CG ASP A 61 -3.261 -8.917 -9.693 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.048 -9.167 -9.878 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.872 -8.025 -10.322 1.00 0.00 O ATOM 0 H ASP A 61 -3.790 -11.266 -5.936 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.425 -10.205 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.096 -10.763 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.048 -9.349 -8.599 1.00 0.00 H new ATOM 822 N ILE A 62 -2.193 -8.096 -5.910 1.00 0.00 N ATOM 823 CA ILE A 62 -1.838 -6.777 -5.394 1.00 0.00 C ATOM 824 C ILE A 62 -0.699 -6.161 -6.209 1.00 0.00 C ATOM 825 O ILE A 62 0.365 -6.765 -6.357 1.00 0.00 O ATOM 826 CB ILE A 62 -1.427 -6.861 -3.908 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.611 -7.344 -3.065 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.923 -5.515 -3.406 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.294 -7.509 -1.592 1.00 0.00 C ATOM 0 H ILE A 62 -1.657 -8.864 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.718 -6.140 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.612 -7.578 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.433 -6.636 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.959 -8.298 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.640 -5.601 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.056 -5.210 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.712 -4.770 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.184 -7.853 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.495 -8.240 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.975 -6.552 -1.179 1.00 0.00 H new ATOM 840 N LYS A 63 -0.931 -4.970 -6.754 1.00 0.00 N ATOM 841 CA LYS A 63 0.080 -4.283 -7.550 1.00 0.00 C ATOM 842 C LYS A 63 -0.076 -2.770 -7.407 1.00 0.00 C ATOM 843 O LYS A 63 -1.178 -2.276 -7.191 1.00 0.00 O ATOM 844 CB LYS A 63 -0.060 -4.674 -9.023 1.00 0.00 C ATOM 845 CG LYS A 63 1.260 -4.679 -9.775 1.00 0.00 C ATOM 846 CD LYS A 63 2.156 -5.793 -9.271 1.00 0.00 C ATOM 847 CE LYS A 63 3.487 -5.830 -10.002 1.00 0.00 C ATOM 848 NZ LYS A 63 4.274 -7.036 -9.635 1.00 0.00 N ATOM 0 H LYS A 63 -1.810 -4.461 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 63 1.066 -4.577 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.510 -5.665 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.745 -3.981 -9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.077 -4.807 -10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.760 -3.718 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.333 -5.661 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.648 -6.750 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.313 -5.821 -11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.060 -4.934 -9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.177 -7.032 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.460 -7.031 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.737 -7.891 -9.885 1.00 0.00 H new ATOM 858 N LEU A 64 1.024 -2.040 -7.516 1.00 0.00 N ATOM 859 CA LEU A 64 0.984 -0.584 -7.412 1.00 0.00 C ATOM 860 C LEU A 64 0.666 0.042 -8.765 1.00 0.00 C ATOM 861 O LEU A 64 1.127 -0.423 -9.806 1.00 0.00 O ATOM 862 CB LEU A 64 2.309 -0.055 -6.865 1.00 0.00 C ATOM 863 CG LEU A 64 2.530 -0.326 -5.376 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.978 -0.061 -4.985 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.586 0.520 -4.536 1.00 0.00 C ATOM 0 H LEU A 64 1.954 -2.428 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 64 0.191 -0.306 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.126 -0.504 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.356 1.020 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 64 2.315 -1.377 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.110 -0.261 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.635 -0.712 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.226 0.980 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.756 0.315 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.769 1.576 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.555 0.276 -4.791 1.00 0.00 H new ATOM 876 N GLU A 65 -0.140 1.097 -8.730 1.00 0.00 N ATOM 877 CA GLU A 65 -0.574 1.792 -9.937 1.00 0.00 C ATOM 878 C GLU A 65 0.217 3.080 -10.189 1.00 0.00 C ATOM 879 O GLU A 65 1.030 3.146 -11.109 1.00 0.00 O ATOM 880 CB GLU A 65 -2.067 2.111 -9.821 1.00 0.00 C ATOM 881 CG GLU A 65 -2.632 2.881 -11.002 1.00 0.00 C ATOM 882 CD GLU A 65 -4.075 3.277 -10.787 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.320 4.262 -10.063 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.972 2.607 -11.337 1.00 0.00 O ATOM 0 H GLU A 65 -0.510 1.494 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.388 1.134 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.619 1.178 -9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.234 2.688 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.033 3.776 -11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.554 2.271 -11.902 1.00 0.00 H new ATOM 889 N GLU A 66 -0.017 4.099 -9.358 1.00 0.00 N ATOM 890 CA GLU A 66 0.640 5.404 -9.505 1.00 0.00 C ATOM 891 C GLU A 66 2.096 5.373 -9.061 1.00 0.00 C ATOM 892 O GLU A 66 2.536 6.218 -8.279 1.00 0.00 O ATOM 893 CB GLU A 66 -0.116 6.462 -8.703 1.00 0.00 C ATOM 894 CG GLU A 66 -1.597 6.467 -8.997 1.00 0.00 C ATOM 895 CD GLU A 66 -2.341 7.591 -8.301 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.019 8.767 -8.559 1.00 0.00 O ATOM 897 OE2 GLU A 66 -3.244 7.303 -7.483 1.00 0.00 O ATOM 0 H GLU A 66 -0.662 4.046 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 66 0.624 5.655 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.039 6.285 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.298 7.445 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.747 6.553 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.025 5.512 -8.691 1.00 0.00 H new ATOM 902 N GLY A 67 2.827 4.387 -9.547 1.00 0.00 N ATOM 903 CA GLY A 67 4.232 4.245 -9.212 1.00 0.00 C ATOM 904 C GLY A 67 4.460 3.951 -7.742 1.00 0.00 C ATOM 905 O GLY A 67 5.597 3.953 -7.274 1.00 0.00 O ATOM 0 H GLY A 67 2.469 3.670 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.664 3.442 -9.809 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.759 5.161 -9.480 1.00 0.00 H new ATOM 909 N GLY A 68 3.376 3.703 -7.012 1.00 0.00 N ATOM 910 CA GLY A 68 3.489 3.412 -5.599 1.00 0.00 C ATOM 911 C GLY A 68 2.604 4.292 -4.737 1.00 0.00 C ATOM 912 O GLY A 68 2.537 4.107 -3.526 1.00 0.00 O ATOM 0 H GLY A 68 2.423 3.699 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.230 2.367 -5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.527 3.537 -5.290 1.00 0.00 H new ATOM 916 N ARG A 69 1.903 5.242 -5.345 1.00 0.00 N ATOM 917 CA ARG A 69 1.040 6.134 -4.581 1.00 0.00 C ATOM 918 C ARG A 69 -0.398 5.613 -4.584 1.00 0.00 C ATOM 919 O ARG A 69 -1.298 6.189 -3.972 1.00 0.00 O ATOM 920 CB ARG A 69 1.133 7.557 -5.148 1.00 0.00 C ATOM 921 CG ARG A 69 0.399 8.605 -4.329 1.00 0.00 C ATOM 922 CD ARG A 69 0.961 9.999 -4.564 1.00 0.00 C ATOM 923 NE ARG A 69 1.060 10.344 -5.981 1.00 0.00 N ATOM 924 CZ ARG A 69 0.197 11.135 -6.616 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.837 11.650 -5.965 1.00 0.00 N ATOM 926 NH2 ARG A 69 0.374 11.428 -7.896 1.00 0.00 N ATOM 0 H ARG A 69 1.914 5.413 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 69 1.373 6.163 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.183 7.839 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.732 7.559 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.660 8.592 -4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.473 8.357 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.327 10.730 -4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.949 10.068 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 69 1.837 9.955 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.973 11.441 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.497 12.256 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.175 11.047 -8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.290 12.034 -8.377 1.00 0.00 H new ATOM 937 N LYS A 70 -0.588 4.485 -5.248 1.00 0.00 N ATOM 938 CA LYS A 70 -1.893 3.856 -5.349 1.00 0.00 C ATOM 939 C LYS A 70 -1.723 2.350 -5.412 1.00 0.00 C ATOM 940 O LYS A 70 -0.929 1.852 -6.208 1.00 0.00 O ATOM 941 CB LYS A 70 -2.608 4.341 -6.607 1.00 0.00 C ATOM 942 CG LYS A 70 -3.995 3.750 -6.815 1.00 0.00 C ATOM 943 CD LYS A 70 -5.063 4.594 -6.146 1.00 0.00 C ATOM 944 CE LYS A 70 -6.060 5.132 -7.162 1.00 0.00 C ATOM 945 NZ LYS A 70 -5.390 5.857 -8.276 1.00 0.00 N ATOM 0 H LYS A 70 0.156 3.981 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.488 4.121 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.693 5.427 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.992 4.102 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.204 3.675 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.025 2.737 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.587 3.997 -5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.595 5.425 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.645 4.306 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.759 5.803 -6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.944 6.702 -8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.435 6.143 -7.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.322 5.233 -9.105 1.00 0.00 H new ATOM 955 N LEU A 71 -2.450 1.635 -4.573 1.00 0.00 N ATOM 956 CA LEU A 71 -2.375 0.185 -4.551 1.00 0.00 C ATOM 957 C LEU A 71 -3.628 -0.397 -5.191 1.00 0.00 C ATOM 958 O LEU A 71 -4.746 -0.149 -4.730 1.00 0.00 O ATOM 959 CB LEU A 71 -2.211 -0.319 -3.109 1.00 0.00 C ATOM 960 CG LEU A 71 -1.917 -1.815 -2.948 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.153 -2.062 -1.658 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.206 -2.624 -2.946 1.00 0.00 C ATOM 0 H LEU A 71 -3.100 2.035 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.505 -0.142 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.403 0.242 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.123 -0.087 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.309 -2.135 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.950 -3.128 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.211 -1.514 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.749 -1.722 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.971 -3.682 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.838 -2.300 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.734 -2.470 -3.887 1.00 0.00 H new ATOM 973 N THR A 72 -3.439 -1.138 -6.264 1.00 0.00 N ATOM 974 CA THR A 72 -4.544 -1.756 -6.968 1.00 0.00 C ATOM 975 C THR A 72 -4.550 -3.260 -6.759 1.00 0.00 C ATOM 976 O THR A 72 -3.538 -3.937 -6.965 1.00 0.00 O ATOM 977 CB THR A 72 -4.497 -1.440 -8.473 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.140 -1.465 -8.943 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.125 -0.084 -8.748 1.00 0.00 C ATOM 0 H THR A 72 -2.523 -1.328 -6.670 1.00 0.00 H new ATOM 0 HA THR A 72 -5.463 -1.339 -6.555 1.00 0.00 H new ATOM 0 HB THR A 72 -5.066 -2.201 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.632 -2.135 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.084 0.126 -9.817 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.164 -0.091 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.578 0.687 -8.206 1.00 0.00 H new ATOM 987 N CYS A 73 -5.691 -3.773 -6.346 1.00 0.00 N ATOM 988 CA CYS A 73 -5.856 -5.191 -6.095 1.00 0.00 C ATOM 989 C CYS A 73 -7.328 -5.540 -6.178 1.00 0.00 C ATOM 990 O CYS A 73 -8.173 -4.660 -6.304 1.00 0.00 O ATOM 991 CB CYS A 73 -5.311 -5.553 -4.711 1.00 0.00 C ATOM 992 SG CYS A 73 -6.105 -4.668 -3.348 1.00 0.00 S ATOM 0 H CYS A 73 -6.530 -3.219 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.301 -5.757 -6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.433 -6.625 -4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.241 -5.347 -4.689 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.578 -5.044 -2.221 1.00 0.00 H new ATOM 997 N ARG A 74 -7.648 -6.810 -6.134 1.00 0.00 N ATOM 998 CA ARG A 74 -9.033 -7.212 -6.178 1.00 0.00 C ATOM 999 C ARG A 74 -9.468 -7.720 -4.818 1.00 0.00 C ATOM 1000 O ARG A 74 -9.152 -8.847 -4.436 1.00 0.00 O ATOM 1001 CB ARG A 74 -9.273 -8.266 -7.250 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.723 -8.708 -7.329 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.954 -9.693 -8.456 1.00 0.00 C ATOM 1004 NE ARG A 74 -12.370 -10.017 -8.599 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.857 -10.852 -9.512 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -12.047 -11.480 -10.358 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -14.164 -11.060 -9.579 1.00 0.00 N ATOM 0 H ARG A 74 -6.977 -7.576 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.633 -6.340 -6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.966 -7.869 -8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.645 -9.133 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.015 -9.164 -6.383 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.361 -7.836 -7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.579 -9.274 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.388 -10.605 -8.266 1.00 0.00 H new ATOM 0 HE ARG A 74 -13.028 -9.575 -7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.040 -11.324 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.432 -12.118 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.790 -10.581 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.544 -11.699 -10.277 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.164 -6.869 -4.057 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.666 -7.225 -2.739 1.00 0.00 C ATOM 1020 C PRO A 75 -11.617 -8.400 -2.840 1.00 0.00 C ATOM 1021 O PRO A 75 -12.505 -8.404 -3.690 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.407 -5.967 -2.268 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.647 -5.167 -3.498 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.525 -5.499 -4.438 1.00 0.00 C ATOM 0 HA PRO A 75 -9.875 -7.524 -2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.346 -6.224 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.812 -5.408 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.612 -5.414 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.663 -4.101 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.841 -5.441 -5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.685 -4.814 -4.321 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.401 -9.404 -2.010 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.231 -10.593 -2.022 1.00 0.00 C ATOM 1031 C LYS A 76 -12.919 -10.812 -0.681 1.00 0.00 C ATOM 1032 O LYS A 76 -12.444 -10.364 0.360 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.394 -11.815 -2.420 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.094 -11.983 -1.638 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.316 -12.619 -0.273 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.713 -14.014 -0.196 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.229 -13.989 -0.307 1.00 0.00 N ATOM 0 H LYS A 76 -10.654 -9.419 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.017 -10.451 -2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.000 -12.711 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.157 -11.745 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.403 -12.598 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.622 -11.009 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.874 -11.988 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.385 -12.673 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.998 -14.480 0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.126 -14.631 -0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.868 -14.963 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.954 -13.477 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.827 -13.509 0.523 1.00 0.00 H new ATOM 1047 N THR A 77 -14.050 -11.495 -0.722 1.00 0.00 N ATOM 1048 CA THR A 77 -14.803 -11.795 0.479 1.00 0.00 C ATOM 1049 C THR A 77 -14.407 -13.167 0.998 1.00 0.00 C ATOM 1050 O THR A 77 -14.100 -14.069 0.211 1.00 0.00 O ATOM 1051 CB THR A 77 -16.317 -11.776 0.206 1.00 0.00 C ATOM 1052 OG1 THR A 77 -17.034 -11.718 1.444 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.739 -13.003 -0.593 1.00 0.00 C ATOM 0 H THR A 77 -14.467 -11.853 -1.581 1.00 0.00 H new ATOM 0 HA THR A 77 -14.575 -11.031 1.222 1.00 0.00 H new ATOM 0 HB THR A 77 -16.552 -10.890 -0.384 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.384 -12.607 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.813 -12.968 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.211 -13.016 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.495 -13.905 -0.031 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.447 -13.318 2.315 1.00 0.00 N ATOM 1062 CA VAL A 78 -14.077 -14.565 2.977 1.00 0.00 C ATOM 1063 C VAL A 78 -15.131 -15.662 2.765 1.00 0.00 C ATOM 1064 O VAL A 78 -14.922 -16.817 3.139 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.850 -14.323 4.490 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -15.160 -14.018 5.206 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.132 -15.500 5.139 1.00 0.00 C ATOM 0 H VAL A 78 -14.737 -12.580 2.956 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.148 -14.912 2.526 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.207 -13.448 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.966 -13.853 6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.610 -13.123 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.843 -14.859 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.988 -15.298 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.731 -16.403 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.162 -15.642 4.662 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.259 -15.299 2.152 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.328 -16.262 1.880 1.00 0.00 C ATOM 1079 C ASP A 79 -16.855 -17.311 0.886 1.00 0.00 C ATOM 1080 O ASP A 79 -17.397 -18.413 0.819 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.568 -15.572 1.307 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.181 -14.559 2.245 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -20.032 -14.946 3.073 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -18.828 -13.370 2.143 1.00 0.00 O ATOM 0 H ASP A 79 -16.456 -14.349 1.836 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.588 -16.733 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.300 -15.076 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.315 -16.328 1.063 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.846 -16.955 0.105 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.315 -17.873 -0.883 1.00 0.00 C ATOM 1090 C GLY A 80 -14.133 -17.307 -1.641 1.00 0.00 C ATOM 1091 O GLY A 80 -13.480 -18.017 -2.404 1.00 0.00 O ATOM 0 H GLY A 80 -15.385 -16.046 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.014 -18.796 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.103 -18.133 -1.590 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.860 -16.023 -1.449 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.747 -15.396 -2.125 1.00 0.00 C ATOM 1097 C GLY A 81 -13.178 -14.723 -3.403 1.00 0.00 C ATOM 1098 O GLY A 81 -12.371 -14.495 -4.302 1.00 0.00 O ATOM 0 H GLY A 81 -14.392 -15.406 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.287 -14.661 -1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.987 -16.145 -2.347 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.459 -14.406 -3.482 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.017 -13.763 -4.666 1.00 0.00 C ATOM 1104 C PHE A 82 -15.414 -12.345 -4.326 1.00 0.00 C ATOM 1105 O PHE A 82 -15.704 -12.072 -3.167 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.221 -14.551 -5.200 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.238 -14.905 -4.150 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.285 -14.044 -3.856 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -17.143 -16.099 -3.456 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.214 -14.370 -2.887 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -18.070 -16.429 -2.489 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.105 -15.565 -2.203 1.00 0.00 C ATOM 0 H PHE A 82 -15.136 -14.583 -2.740 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.260 -13.745 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.708 -13.965 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.863 -15.468 -5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.375 -13.110 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.334 -16.780 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.024 -13.692 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.985 -17.364 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.830 -15.822 -1.445 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.417 -11.454 -5.319 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.785 -10.056 -5.103 1.00 0.00 C ATOM 1123 C ARG A 83 -15.506 -9.218 -6.351 1.00 0.00 C ATOM 1124 O ARG A 83 -15.556 -9.723 -7.475 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.004 -9.486 -3.932 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.821 -8.643 -2.973 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.657 -9.511 -2.046 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.981 -9.801 -2.593 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.051 -10.084 -1.846 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.963 -10.090 -0.518 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.213 -10.348 -2.429 1.00 0.00 N ATOM 0 H ARG A 83 -15.168 -11.678 -6.282 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.853 -10.019 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.555 -10.310 -3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.186 -8.880 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.156 -8.013 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.474 -7.977 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.132 -10.448 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.767 -9.009 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.094 -9.786 -3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.074 -9.878 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.784 -10.307 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.288 -10.335 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.031 -10.564 -1.860 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.167 -7.949 -6.137 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.913 -7.007 -7.223 1.00 0.00 C ATOM 1144 C GLU A 84 -13.512 -6.408 -7.085 1.00 0.00 C ATOM 1145 O GLU A 84 -12.925 -6.456 -6.010 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.982 -5.905 -7.162 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.868 -4.846 -8.246 1.00 0.00 C ATOM 1148 CD GLU A 84 -15.956 -5.431 -9.639 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.085 -5.631 -10.133 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -14.896 -5.695 -10.244 1.00 0.00 O ATOM 0 H GLU A 84 -15.061 -7.545 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.964 -7.517 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.966 -6.369 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.925 -5.417 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.660 -4.109 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.920 -4.319 -8.136 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.975 -5.864 -8.173 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.647 -5.256 -8.149 1.00 0.00 C ATOM 1157 C ARG A 85 -11.763 -3.799 -7.716 1.00 0.00 C ATOM 1158 O ARG A 85 -12.814 -3.180 -7.897 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.992 -5.340 -9.527 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.499 -5.047 -9.516 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.906 -5.092 -10.915 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.448 -4.963 -10.898 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.750 -4.277 -11.804 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.375 -3.593 -12.754 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.424 -4.260 -11.750 1.00 0.00 N ATOM 0 H ARG A 85 -13.438 -5.831 -9.081 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.024 -5.799 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.154 -6.337 -9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.486 -4.637 -10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.324 -4.064 -9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.990 -5.773 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.181 -6.031 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.334 -4.289 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.935 -5.426 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.394 -3.590 -12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.836 -3.070 -13.444 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.937 -4.772 -11.015 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.892 -3.735 -12.444 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.692 -3.242 -7.156 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.719 -1.862 -6.688 1.00 0.00 C ATOM 1178 C GLN A 86 -9.300 -1.333 -6.457 1.00 0.00 C ATOM 1179 O GLN A 86 -8.329 -2.086 -6.488 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.539 -1.797 -5.393 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.944 -0.395 -4.962 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.803 -0.395 -3.710 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.586 -1.447 -3.518 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -12.764 0.545 -2.919 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.803 -3.721 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.182 -1.232 -7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.440 -2.397 -5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.961 -2.256 -4.591 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.048 0.199 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.490 0.087 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.149 1.338 -3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.347 0.532 -2.082 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.182 -0.034 -6.243 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.886 0.563 -5.996 1.00 0.00 C ATOM 1193 C GLY A 87 -7.940 1.568 -4.870 1.00 0.00 C ATOM 1194 O GLY A 87 -8.833 2.416 -4.829 1.00 0.00 O ATOM 0 H GLY A 87 -9.963 0.622 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.166 -0.218 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.531 1.052 -6.903 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.991 1.474 -3.959 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.932 2.377 -2.817 1.00 0.00 C ATOM 1200 C ILE A 88 -5.671 3.234 -2.888 1.00 0.00 C ATOM 1201 O ILE A 88 -4.583 2.740 -3.189 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.984 1.604 -1.471 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.834 2.566 -0.286 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.911 0.520 -1.425 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -6.940 1.888 1.063 1.00 0.00 C ATOM 0 H ILE A 88 -6.245 0.779 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.808 3.024 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.958 1.120 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.869 3.068 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.600 3.338 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.967 -0.008 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.071 -0.185 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.927 0.977 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.824 2.630 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.915 1.410 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.157 1.135 1.154 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.829 4.526 -2.647 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.706 5.447 -2.691 1.00 0.00 C ATOM 1218 C ASP A 89 -3.913 5.370 -1.392 1.00 0.00 C ATOM 1219 O ASP A 89 -4.482 5.241 -0.305 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.181 6.878 -2.950 1.00 0.00 C ATOM 1221 CG ASP A 89 -5.821 7.522 -1.737 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.026 7.293 -1.497 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.121 8.273 -1.030 1.00 0.00 O ATOM 0 H ASP A 89 -6.724 4.960 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.055 5.157 -3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.333 7.483 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.897 6.873 -3.772 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.596 5.447 -1.511 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.716 5.351 -0.353 1.00 0.00 C ATOM 1229 C LEU A 90 -1.129 6.706 -0.006 1.00 0.00 C ATOM 1230 O LEU A 90 0.057 6.833 0.302 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.592 4.374 -0.645 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.023 3.089 -1.337 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.196 2.270 -1.680 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.982 2.298 -0.459 1.00 0.00 C ATOM 0 H LEU A 90 -2.111 5.576 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.302 4.998 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.151 4.873 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.101 4.117 0.293 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.551 3.339 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.112 1.349 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.843 2.842 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.739 2.026 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.277 1.384 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.490 2.043 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.867 2.900 -0.253 1.00 0.00 H new ATOM 1245 N ASN A 91 -1.973 7.711 -0.040 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.555 9.076 0.259 1.00 0.00 C ATOM 1247 C ASN A 91 -1.454 9.312 1.762 1.00 0.00 C ATOM 1248 O ASN A 91 -1.170 10.422 2.210 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.505 10.083 -0.391 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.283 10.190 -1.890 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -1.445 10.969 -2.347 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -3.029 9.416 -2.664 1.00 0.00 N ATOM 0 H ASN A 91 -2.962 7.616 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.560 9.221 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.536 9.786 -0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.364 11.062 0.067 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.920 9.452 -3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.712 8.784 -2.246 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.685 8.260 2.537 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.598 8.338 3.989 1.00 0.00 C ATOM 1260 C ARG A 92 -0.213 7.929 4.464 1.00 0.00 C ATOM 1261 O ARG A 92 0.126 8.081 5.637 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.636 7.434 4.644 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.051 7.959 4.568 1.00 0.00 C ATOM 1264 CD ARG A 92 -4.950 7.202 5.524 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.666 7.522 6.923 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.533 7.338 7.917 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.765 6.919 7.652 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.171 7.598 9.167 1.00 0.00 N ATOM 0 H ARG A 92 -1.935 7.337 2.181 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.790 9.372 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.598 6.453 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.369 7.292 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.064 9.021 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.428 7.860 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.991 7.437 5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.825 6.131 5.366 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.750 7.909 7.150 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.046 6.739 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.430 6.778 8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.230 7.938 9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.834 7.458 9.930 1.00 0.00 H new ATOM 1279 N ILE A 93 0.580 7.394 3.552 1.00 0.00 N ATOM 1280 CA ILE A 93 1.923 6.954 3.882 1.00 0.00 C ATOM 1281 C ILE A 93 2.909 8.059 3.529 1.00 0.00 C ATOM 1282 O ILE A 93 3.099 8.391 2.356 1.00 0.00 O ATOM 1283 CB ILE A 93 2.275 5.637 3.147 1.00 0.00 C ATOM 1284 CG1 ILE A 93 1.101 4.656 3.241 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.530 4.999 3.735 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.663 4.365 4.664 1.00 0.00 C ATOM 0 H ILE A 93 0.316 7.254 2.577 1.00 0.00 H new ATOM 0 HA ILE A 93 1.981 6.749 4.951 1.00 0.00 H new ATOM 0 HB ILE A 93 2.469 5.873 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.255 5.061 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.381 3.720 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.754 4.076 3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.369 5.688 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.365 4.776 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.171 3.664 4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.494 3.930 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.351 5.292 5.145 1.00 0.00 H new ATOM 1297 N GLN A 94 3.513 8.647 4.549 1.00 0.00 N ATOM 1298 CA GLN A 94 4.446 9.745 4.357 1.00 0.00 C ATOM 1299 C GLN A 94 5.832 9.387 4.881 1.00 0.00 C ATOM 1300 O GLN A 94 5.968 8.639 5.850 1.00 0.00 O ATOM 1301 CB GLN A 94 3.933 10.985 5.097 1.00 0.00 C ATOM 1302 CG GLN A 94 3.820 12.236 4.235 1.00 0.00 C ATOM 1303 CD GLN A 94 5.150 12.701 3.667 1.00 0.00 C ATOM 1304 OE1 GLN A 94 5.450 12.285 2.452 1.00 0.00 O flip ATOM 1305 NE2 GLN A 94 5.885 13.451 4.305 1.00 0.00 N flip ATOM 0 H GLN A 94 3.373 8.380 5.523 1.00 0.00 H new ATOM 0 HA GLN A 94 4.521 9.947 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.953 10.761 5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.600 11.195 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.131 12.041 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.387 13.040 4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.618 13.751 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.762 13.774 3.897 1.00 0.00 H new ATOM 1312 N ASN A 95 6.854 9.909 4.230 1.00 0.00 N ATOM 1313 CA ASN A 95 8.224 9.678 4.653 1.00 0.00 C ATOM 1314 C ASN A 95 8.692 10.838 5.531 1.00 0.00 C ATOM 1315 O ASN A 95 9.006 11.925 5.047 1.00 0.00 O ATOM 1316 CB ASN A 95 9.163 9.486 3.446 1.00 0.00 C ATOM 1317 CG ASN A 95 9.136 10.634 2.445 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.103 11.259 2.215 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.279 10.921 1.845 1.00 0.00 N ATOM 0 H ASN A 95 6.762 10.498 3.403 1.00 0.00 H new ATOM 0 HA ASN A 95 8.256 8.756 5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.183 9.360 3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.892 8.564 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.322 11.682 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.117 10.381 2.060 1.00 0.00 H new ATOM 1325 N VAL A 96 8.719 10.597 6.830 1.00 0.00 N ATOM 1326 CA VAL A 96 9.128 11.607 7.789 1.00 0.00 C ATOM 1327 C VAL A 96 10.620 11.492 8.060 1.00 0.00 C ATOM 1328 O VAL A 96 11.074 10.560 8.732 1.00 0.00 O ATOM 1329 CB VAL A 96 8.346 11.479 9.115 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.725 12.590 10.080 1.00 0.00 C ATOM 1331 CG2 VAL A 96 6.844 11.482 8.863 1.00 0.00 C ATOM 0 H VAL A 96 8.460 9.703 7.247 1.00 0.00 H new ATOM 0 HA VAL A 96 8.907 12.584 7.359 1.00 0.00 H new ATOM 0 HB VAL A 96 8.615 10.526 9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.160 12.477 11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.792 12.535 10.297 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.495 13.556 9.631 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.316 11.391 9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.558 12.415 8.377 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.581 10.642 8.219 1.00 0.00 H new ATOM 1341 N ASN A 97 11.376 12.436 7.508 1.00 0.00 N ATOM 1342 CA ASN A 97 12.829 12.476 7.654 1.00 0.00 C ATOM 1343 C ASN A 97 13.467 11.218 7.076 1.00 0.00 C ATOM 1344 O ASN A 97 14.477 10.733 7.581 1.00 0.00 O ATOM 1345 CB ASN A 97 13.241 12.648 9.120 1.00 0.00 C ATOM 1346 CG ASN A 97 13.201 14.090 9.591 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.287 14.883 9.049 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 13.984 14.486 10.454 1.00 0.00 N flip ATOM 0 H ASN A 97 10.998 13.198 6.945 1.00 0.00 H new ATOM 0 HA ASN A 97 13.188 13.341 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.581 12.050 9.748 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.250 12.257 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.674 13.847 10.848 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.943 15.453 10.775 1.00 0.00 H new ATOM 1354 N GLY A 98 12.865 10.697 6.015 1.00 0.00 N ATOM 1355 CA GLY A 98 13.379 9.504 5.376 1.00 0.00 C ATOM 1356 C GLY A 98 12.712 8.236 5.866 1.00 0.00 C ATOM 1357 O GLY A 98 12.688 7.235 5.155 1.00 0.00 O ATOM 0 H GLY A 98 12.025 11.083 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.241 9.588 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.452 9.436 5.555 1.00 0.00 H new ATOM 1361 N ARG A 99 12.144 8.280 7.063 1.00 0.00 N ATOM 1362 CA ARG A 99 11.492 7.109 7.632 1.00 0.00 C ATOM 1363 C ARG A 99 10.044 7.046 7.179 1.00 0.00 C ATOM 1364 O ARG A 99 9.311 8.028 7.290 1.00 0.00 O ATOM 1365 CB ARG A 99 11.548 7.123 9.165 1.00 0.00 C ATOM 1366 CG ARG A 99 12.953 7.033 9.747 1.00 0.00 C ATOM 1367 CD ARG A 99 13.691 8.363 9.681 1.00 0.00 C ATOM 1368 NE ARG A 99 15.002 8.287 10.319 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.281 8.813 11.513 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.347 9.474 12.191 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.490 8.670 12.038 1.00 0.00 N ATOM 0 H ARG A 99 12.121 9.109 7.656 1.00 0.00 H new ATOM 0 HA ARG A 99 12.028 6.228 7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.077 8.038 9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.957 6.290 9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.894 6.704 10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.521 6.277 9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.810 8.661 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.094 9.135 10.167 1.00 0.00 H new ATOM 0 HE ARG A 99 15.750 7.803 9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.412 9.581 11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.566 9.874 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.210 8.157 11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.701 9.073 12.951 1.00 0.00 H new ATOM 1382 N LEU A 100 9.633 5.899 6.669 1.00 0.00 N ATOM 1383 CA LEU A 100 8.269 5.734 6.202 1.00 0.00 C ATOM 1384 C LEU A 100 7.342 5.518 7.388 1.00 0.00 C ATOM 1385 O LEU A 100 7.484 4.550 8.136 1.00 0.00 O ATOM 1386 CB LEU A 100 8.171 4.564 5.224 1.00 0.00 C ATOM 1387 CG LEU A 100 7.199 4.787 4.069 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.641 5.979 3.245 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.101 3.544 3.200 1.00 0.00 C ATOM 0 H LEU A 100 10.221 5.072 6.568 1.00 0.00 H new ATOM 0 HA LEU A 100 7.966 6.639 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.162 4.364 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.866 3.673 5.772 1.00 0.00 H new ATOM 0 HG LEU A 100 6.210 4.990 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.942 6.132 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.661 6.869 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.638 5.795 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.403 3.725 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.084 3.307 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.746 2.707 3.801 1.00 0.00 H new ATOM 1400 N VAL A 101 6.410 6.438 7.566 1.00 0.00 N ATOM 1401 CA VAL A 101 5.468 6.367 8.670 1.00 0.00 C ATOM 1402 C VAL A 101 4.042 6.517 8.157 1.00 0.00 C ATOM 1403 O VAL A 101 3.780 7.295 7.236 1.00 0.00 O ATOM 1404 CB VAL A 101 5.743 7.475 9.715 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.863 7.296 10.946 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.213 7.502 10.109 1.00 0.00 C ATOM 0 H VAL A 101 6.285 7.247 6.957 1.00 0.00 H new ATOM 0 HA VAL A 101 5.592 5.394 9.145 1.00 0.00 H new ATOM 0 HB VAL A 101 5.496 8.432 9.256 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.077 8.088 11.664 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.814 7.345 10.654 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.068 6.327 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.378 8.290 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.492 6.540 10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.823 7.696 9.227 1.00 0.00 H new ATOM 1416 N PHE A 102 3.130 5.755 8.733 1.00 0.00 N ATOM 1417 CA PHE A 102 1.733 5.831 8.352 1.00 0.00 C ATOM 1418 C PHE A 102 1.041 6.927 9.151 1.00 0.00 C ATOM 1419 O PHE A 102 1.235 7.044 10.365 1.00 0.00 O ATOM 1420 CB PHE A 102 1.029 4.486 8.575 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.449 4.624 8.812 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.323 4.895 7.767 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -0.960 4.510 10.093 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.670 5.051 8.002 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.310 4.660 10.330 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.165 4.934 9.284 1.00 0.00 C ATOM 0 H PHE A 102 3.333 5.076 9.467 1.00 0.00 H new ATOM 0 HA PHE A 102 1.676 6.069 7.290 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.193 3.849 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.482 3.983 9.429 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.942 4.984 6.760 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.294 4.301 10.917 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.340 5.265 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.697 4.563 11.334 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.222 5.057 9.468 1.00 0.00 H new ATOM 1435 N GLN A 103 0.250 7.731 8.471 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.474 8.806 9.124 1.00 0.00 C ATOM 1437 C GLN A 103 -1.977 8.578 9.005 1.00 0.00 C ATOM 1438 O GLN A 103 -2.606 8.201 10.019 1.00 0.00 O ATOM 1439 CB GLN A 103 -0.087 10.157 8.518 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.289 11.331 9.465 1.00 0.00 C ATOM 1441 CD GLN A 103 0.819 11.460 10.500 1.00 0.00 C ATOM 1442 OE1 GLN A 103 1.444 10.345 10.857 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 1.115 12.555 10.973 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -2.521 8.754 7.895 1.00 0.00 O ATOM 0 H GLN A 103 0.091 7.662 7.466 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.206 8.815 10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.959 10.123 8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.676 10.323 7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.346 12.252 8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.245 11.217 9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.613 13.392 10.675 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.863 12.627 11.663 1.00 0.00 H new