USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 673 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 96 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.7!) USER MOD Set 1.2: A 99 GLN : amide:sc=-0.00542 K(o=-2.2,f=-0.96) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 MET CE :methyl 146:sc= -4.77! (180deg=-8.08!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 170:sc= -0.846 USER MOD Single : A 25 GLN : amide:sc= -4.12! C(o=-4.1!,f=-13!) USER MOD Single : A 31 SER OG : rot 170:sc= -0.582 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= 0.137 (180deg=-0.423) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= -0.628 (180deg=-0.714) USER MOD Single : A 42 SER OG : rot -111:sc= 0.253 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 13:sc= -0.852 USER MOD Single : A 48 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-2.5!) USER MOD Single : A 49 MET CE :methyl -167:sc= -6.06! (180deg=-6.45!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-9.7!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.691 USER MOD Single : A 64 GLN : amide:sc= -13.9! C(o=-14!,f=-26!) USER MOD Single : A 69 SER OG : rot -40:sc= 1.08 USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= -0.0307 (180deg=-0.268) USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= -2.23 (180deg=-5.43!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.94 K(o=-2.9,f=-0.23) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.04 K(o=-1,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -14.993 -2.440 -3.118 1.00 0.00 N ATOM 2 CA GLY A 21 -16.334 -1.794 -3.066 1.00 0.00 C ATOM 3 C GLY A 21 -16.656 -1.236 -1.694 1.00 0.00 C ATOM 4 O GLY A 21 -16.495 -0.040 -1.451 1.00 0.00 O ATOM 0 HA2 GLY A 21 -16.375 -0.990 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.095 -2.522 -3.347 1.00 0.00 H new ATOM 8 N TYR A 22 -17.111 -2.104 -0.797 1.00 0.00 N ATOM 9 CA TYR A 22 -17.457 -1.690 0.559 1.00 0.00 C ATOM 10 C TYR A 22 -16.298 -1.945 1.519 1.00 0.00 C ATOM 11 O TYR A 22 -15.663 -1.009 2.003 1.00 0.00 O ATOM 12 CB TYR A 22 -18.706 -2.433 1.039 1.00 0.00 C ATOM 13 CG TYR A 22 -19.136 -2.054 2.439 1.00 0.00 C ATOM 14 CD1 TYR A 22 -18.645 -2.738 3.545 1.00 0.00 C ATOM 15 CD2 TYR A 22 -20.032 -1.014 2.655 1.00 0.00 C ATOM 16 CE1 TYR A 22 -19.035 -2.396 4.826 1.00 0.00 C ATOM 17 CE2 TYR A 22 -20.426 -0.666 3.932 1.00 0.00 C ATOM 18 CZ TYR A 22 -19.925 -1.360 5.014 1.00 0.00 C ATOM 19 OH TYR A 22 -20.315 -1.016 6.288 1.00 0.00 O ATOM 0 H TYR A 22 -17.249 -3.097 -0.983 1.00 0.00 H new ATOM 0 HA TYR A 22 -17.663 -0.620 0.544 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -19.526 -2.232 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -18.516 -3.506 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -17.947 -3.550 3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -20.427 -0.469 1.810 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -18.645 -2.937 5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -21.123 0.145 4.083 1.00 0.00 H new ATOM 0 HH TYR A 22 -20.944 -0.266 6.246 1.00 0.00 H new ATOM 29 N GLU A 23 -16.029 -3.219 1.788 1.00 0.00 N ATOM 30 CA GLU A 23 -14.947 -3.596 2.689 1.00 0.00 C ATOM 31 C GLU A 23 -13.779 -4.202 1.917 1.00 0.00 C ATOM 32 O GLU A 23 -13.948 -5.171 1.177 1.00 0.00 O ATOM 33 CB GLU A 23 -15.450 -4.590 3.738 1.00 0.00 C ATOM 34 CG GLU A 23 -16.009 -5.873 3.143 1.00 0.00 C ATOM 35 CD GLU A 23 -16.511 -6.835 4.202 1.00 0.00 C ATOM 36 OE1 GLU A 23 -17.704 -6.751 4.562 1.00 0.00 O ATOM 37 OE2 GLU A 23 -15.711 -7.672 4.670 1.00 0.00 O ATOM 0 H GLU A 23 -16.545 -4.006 1.395 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.597 -2.694 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.631 -4.839 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.223 -4.111 4.339 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.825 -5.629 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.236 -6.362 2.550 1.00 0.00 H new ATOM 44 N CYS A 24 -12.596 -3.623 2.092 1.00 0.00 N ATOM 45 CA CYS A 24 -11.401 -4.106 1.412 1.00 0.00 C ATOM 46 C CYS A 24 -10.181 -3.997 2.325 1.00 0.00 C ATOM 47 O CYS A 24 -10.197 -3.251 3.304 1.00 0.00 O ATOM 48 CB CYS A 24 -11.173 -3.314 0.121 1.00 0.00 C ATOM 49 SG CYS A 24 -12.663 -3.099 -0.883 1.00 0.00 S ATOM 0 H CYS A 24 -12.440 -2.818 2.699 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.547 -5.156 1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.774 -2.332 0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.415 -3.822 -0.476 1.00 0.00 H new ATOM 0 HG CYS A 24 -12.426 -2.246 -1.835 1.00 0.00 H new ATOM 55 N GLN A 25 -9.129 -4.748 2.008 1.00 0.00 N ATOM 56 CA GLN A 25 -7.910 -4.733 2.807 1.00 0.00 C ATOM 57 C GLN A 25 -6.745 -5.339 2.028 1.00 0.00 C ATOM 58 O GLN A 25 -6.853 -6.431 1.471 1.00 0.00 O ATOM 59 CB GLN A 25 -8.115 -5.484 4.130 1.00 0.00 C ATOM 60 CG GLN A 25 -8.410 -6.969 3.971 1.00 0.00 C ATOM 61 CD GLN A 25 -9.884 -7.267 3.767 1.00 0.00 C ATOM 62 OE1 GLN A 25 -10.621 -6.465 3.196 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.323 -8.427 4.241 1.00 0.00 N ATOM 0 H GLN A 25 -9.098 -5.374 1.203 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.670 -3.694 3.035 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.221 -5.367 4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.937 -5.019 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.847 -7.356 3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.058 -7.500 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.678 -9.064 4.708 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.305 -8.681 4.138 1.00 0.00 H new ATOM 72 N LEU A 26 -5.634 -4.615 1.995 1.00 0.00 N ATOM 73 CA LEU A 26 -4.436 -5.060 1.282 1.00 0.00 C ATOM 74 C LEU A 26 -3.245 -5.135 2.229 1.00 0.00 C ATOM 75 O LEU A 26 -3.257 -4.513 3.291 1.00 0.00 O ATOM 76 CB LEU A 26 -4.142 -4.097 0.130 1.00 0.00 C ATOM 77 CG LEU A 26 -2.874 -4.388 -0.673 1.00 0.00 C ATOM 78 CD1 LEU A 26 -2.945 -5.765 -1.314 1.00 0.00 C ATOM 79 CD2 LEU A 26 -2.672 -3.316 -1.734 1.00 0.00 C ATOM 0 H LEU A 26 -5.534 -3.711 2.456 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.611 -6.058 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.992 -4.107 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.070 -3.088 0.535 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.022 -4.376 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.032 -5.950 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.051 -6.523 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.803 -5.810 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.766 -3.531 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.528 -3.305 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.576 -2.342 -1.254 1.00 0.00 H new ATOM 91 N ARG A 27 -2.214 -5.903 1.863 1.00 0.00 N ATOM 92 CA ARG A 27 -1.047 -6.022 2.727 1.00 0.00 C ATOM 93 C ARG A 27 0.208 -5.426 2.093 1.00 0.00 C ATOM 94 O ARG A 27 0.388 -5.463 0.878 1.00 0.00 O ATOM 95 CB ARG A 27 -0.805 -7.481 3.114 1.00 0.00 C ATOM 96 CG ARG A 27 -1.128 -8.476 2.015 1.00 0.00 C ATOM 97 CD ARG A 27 -0.667 -9.877 2.387 1.00 0.00 C ATOM 98 NE ARG A 27 -0.835 -10.824 1.288 1.00 0.00 N ATOM 99 CZ ARG A 27 -0.573 -12.125 1.388 1.00 0.00 C ATOM 100 NH1 ARG A 27 -0.143 -12.636 2.535 1.00 0.00 N ATOM 101 NH2 ARG A 27 -0.742 -12.919 0.339 1.00 0.00 N ATOM 0 H ARG A 27 -2.167 -6.437 0.996 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.261 -5.446 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.239 -7.601 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.407 -7.717 3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.202 -8.481 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.646 -8.166 1.088 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.382 -9.846 2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.230 -10.225 3.253 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.172 -10.468 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.012 -12.031 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.056 -13.634 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.073 -12.533 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.541 -13.916 0.416 1.00 0.00 H new ATOM 115 N LEU A 28 1.069 -4.867 2.944 1.00 0.00 N ATOM 116 CA LEU A 28 2.324 -4.265 2.500 1.00 0.00 C ATOM 117 C LEU A 28 3.513 -5.061 3.016 1.00 0.00 C ATOM 118 O LEU A 28 3.405 -5.768 4.016 1.00 0.00 O ATOM 119 CB LEU A 28 2.463 -2.832 3.030 1.00 0.00 C ATOM 120 CG LEU A 28 1.578 -1.757 2.380 1.00 0.00 C ATOM 121 CD1 LEU A 28 2.426 -0.790 1.576 1.00 0.00 C ATOM 122 CD2 LEU A 28 0.493 -2.377 1.508 1.00 0.00 C ATOM 0 H LEU A 28 0.917 -4.819 3.952 1.00 0.00 H new ATOM 0 HA LEU A 28 2.309 -4.264 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.250 -2.844 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.504 -2.528 2.916 1.00 0.00 H new ATOM 0 HG LEU A 28 1.081 -1.206 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.785 -0.035 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.148 -0.306 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.956 -1.334 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.113 -1.587 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.955 -2.967 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.140 -3.021 2.118 1.00 0.00 H new ATOM 134 N ARG A 29 4.638 -4.933 2.324 1.00 0.00 N ATOM 135 CA ARG A 29 5.880 -5.593 2.723 1.00 0.00 C ATOM 136 C ARG A 29 7.019 -4.583 2.623 1.00 0.00 C ATOM 137 O ARG A 29 7.563 -4.361 1.540 1.00 0.00 O ATOM 138 CB ARG A 29 6.154 -6.810 1.834 1.00 0.00 C ATOM 139 CG ARG A 29 7.256 -7.723 2.353 1.00 0.00 C ATOM 140 CD ARG A 29 8.623 -7.063 2.279 1.00 0.00 C ATOM 141 NE ARG A 29 9.704 -8.019 2.506 1.00 0.00 N ATOM 142 CZ ARG A 29 10.996 -7.712 2.416 1.00 0.00 C ATOM 143 NH1 ARG A 29 11.373 -6.480 2.101 1.00 0.00 N ATOM 144 NH2 ARG A 29 11.914 -8.643 2.640 1.00 0.00 N ATOM 0 H ARG A 29 4.718 -4.373 1.475 1.00 0.00 H new ATOM 0 HA ARG A 29 5.795 -5.949 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.235 -7.388 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.423 -6.464 0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.042 -7.999 3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.267 -8.645 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.749 -6.598 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.682 -6.266 3.020 1.00 0.00 H new ATOM 0 HE ARG A 29 9.454 -8.978 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.671 -5.761 1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.365 -6.252 2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.629 -9.592 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.905 -8.409 2.571 1.00 0.00 H new ATOM 158 N LEU A 30 7.384 -3.975 3.756 1.00 0.00 N ATOM 159 CA LEU A 30 8.415 -2.940 3.757 1.00 0.00 C ATOM 160 C LEU A 30 9.826 -3.508 3.750 1.00 0.00 C ATOM 161 O LEU A 30 10.083 -4.597 4.257 1.00 0.00 O ATOM 162 CB LEU A 30 8.210 -1.973 4.928 1.00 0.00 C ATOM 163 CG LEU A 30 6.993 -1.040 4.800 1.00 0.00 C ATOM 164 CD1 LEU A 30 7.161 -0.096 3.624 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.700 -1.837 4.686 1.00 0.00 C ATOM 0 H LEU A 30 6.985 -4.180 4.672 1.00 0.00 H new ATOM 0 HA LEU A 30 8.307 -2.386 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.108 -2.554 5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.106 -1.362 5.036 1.00 0.00 H new ATOM 0 HG LEU A 30 6.931 -0.439 5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.289 0.554 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.055 0.510 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.259 -0.674 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.857 -1.152 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.743 -2.476 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.573 -2.454 5.575 1.00 0.00 H new ATOM 177 N SER A 31 10.735 -2.734 3.148 1.00 0.00 N ATOM 178 CA SER A 31 12.139 -3.112 3.028 1.00 0.00 C ATOM 179 C SER A 31 12.718 -3.567 4.361 1.00 0.00 C ATOM 180 O SER A 31 13.727 -4.270 4.396 1.00 0.00 O ATOM 181 CB SER A 31 12.956 -1.939 2.482 1.00 0.00 C ATOM 182 OG SER A 31 12.878 -0.818 3.345 1.00 0.00 O ATOM 0 H SER A 31 10.514 -1.829 2.732 1.00 0.00 H new ATOM 0 HA SER A 31 12.195 -3.951 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.997 -2.240 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.590 -1.666 1.492 1.00 0.00 H new ATOM 0 HG SER A 31 13.530 -0.143 3.064 1.00 0.00 H new ATOM 188 N THR A 32 12.085 -3.162 5.458 1.00 0.00 N ATOM 189 CA THR A 32 12.551 -3.557 6.777 1.00 0.00 C ATOM 190 C THR A 32 11.814 -4.806 7.239 1.00 0.00 C ATOM 191 O THR A 32 11.725 -5.081 8.435 1.00 0.00 O ATOM 192 CB THR A 32 12.344 -2.433 7.811 1.00 0.00 C ATOM 193 OG1 THR A 32 10.951 -2.117 7.918 1.00 0.00 O ATOM 194 CG2 THR A 32 13.122 -1.186 7.418 1.00 0.00 C ATOM 0 H THR A 32 11.257 -2.567 5.458 1.00 0.00 H new ATOM 0 HA THR A 32 13.619 -3.762 6.701 1.00 0.00 H new ATOM 0 HB THR A 32 12.713 -2.784 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.827 -1.403 8.578 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.960 -0.407 8.163 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.185 -1.422 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.779 -0.835 6.445 1.00 0.00 H new ATOM 202 N GLY A 33 11.287 -5.560 6.276 1.00 0.00 N ATOM 203 CA GLY A 33 10.548 -6.758 6.599 1.00 0.00 C ATOM 204 C GLY A 33 9.299 -6.409 7.361 1.00 0.00 C ATOM 205 O GLY A 33 8.956 -7.064 8.346 1.00 0.00 O ATOM 0 H GLY A 33 11.362 -5.358 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.288 -7.291 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.169 -7.428 7.193 1.00 0.00 H new ATOM 209 N LYS A 34 8.611 -5.367 6.902 1.00 0.00 N ATOM 210 CA LYS A 34 7.412 -4.909 7.573 1.00 0.00 C ATOM 211 C LYS A 34 6.161 -5.240 6.771 1.00 0.00 C ATOM 212 O LYS A 34 5.764 -4.501 5.873 1.00 0.00 O ATOM 213 CB LYS A 34 7.516 -3.409 7.838 1.00 0.00 C ATOM 214 CG LYS A 34 7.170 -3.009 9.264 1.00 0.00 C ATOM 215 CD LYS A 34 5.912 -3.696 9.767 1.00 0.00 C ATOM 216 CE LYS A 34 4.729 -3.437 8.857 1.00 0.00 C ATOM 217 NZ LYS A 34 3.720 -2.554 9.500 1.00 0.00 N ATOM 0 H LYS A 34 8.866 -4.831 6.073 1.00 0.00 H new ATOM 0 HA LYS A 34 7.325 -5.432 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.531 -3.080 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.853 -2.882 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.004 -3.257 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.036 -1.928 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.088 -4.769 9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.682 -3.343 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.076 -2.978 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.263 -4.385 8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.014 -2.263 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.248 -3.069 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.192 -1.711 9.886 1.00 0.00 H new ATOM 231 N ASP A 35 5.542 -6.358 7.120 1.00 0.00 N ATOM 232 CA ASP A 35 4.340 -6.810 6.456 1.00 0.00 C ATOM 233 C ASP A 35 3.141 -6.596 7.360 1.00 0.00 C ATOM 234 O ASP A 35 3.049 -7.165 8.448 1.00 0.00 O ATOM 235 CB ASP A 35 4.458 -8.286 6.069 1.00 0.00 C ATOM 236 CG ASP A 35 3.231 -8.792 5.336 1.00 0.00 C ATOM 237 OD1 ASP A 35 2.294 -9.273 6.009 1.00 0.00 O ATOM 238 OD2 ASP A 35 3.206 -8.705 4.090 1.00 0.00 O ATOM 0 H ASP A 35 5.862 -6.972 7.869 1.00 0.00 H new ATOM 0 HA ASP A 35 4.206 -6.229 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.337 -8.424 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.613 -8.883 6.968 1.00 0.00 H new ATOM 243 N LEU A 36 2.231 -5.770 6.893 1.00 0.00 N ATOM 244 CA LEU A 36 1.027 -5.441 7.640 1.00 0.00 C ATOM 245 C LEU A 36 -0.047 -4.979 6.678 1.00 0.00 C ATOM 246 O LEU A 36 0.185 -4.093 5.854 1.00 0.00 O ATOM 247 CB LEU A 36 1.324 -4.352 8.674 1.00 0.00 C ATOM 248 CG LEU A 36 0.223 -4.108 9.711 1.00 0.00 C ATOM 249 CD1 LEU A 36 -0.984 -3.439 9.072 1.00 0.00 C ATOM 250 CD2 LEU A 36 -0.183 -5.416 10.374 1.00 0.00 C ATOM 0 H LEU A 36 2.300 -5.306 5.987 1.00 0.00 H new ATOM 0 HA LEU A 36 0.677 -6.327 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.242 -4.615 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.516 -3.417 8.147 1.00 0.00 H new ATOM 0 HG LEU A 36 0.618 -3.439 10.475 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.752 -3.276 9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.686 -2.481 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.380 -4.079 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.966 -5.224 11.108 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.556 -6.107 9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.681 -5.855 10.872 1.00 0.00 H new ATOM 262 N LYS A 37 -1.221 -5.576 6.776 1.00 0.00 N ATOM 263 CA LYS A 37 -2.306 -5.231 5.880 1.00 0.00 C ATOM 264 C LYS A 37 -3.191 -4.125 6.443 1.00 0.00 C ATOM 265 O LYS A 37 -3.772 -4.254 7.521 1.00 0.00 O ATOM 266 CB LYS A 37 -3.118 -6.483 5.543 1.00 0.00 C ATOM 267 CG LYS A 37 -4.285 -6.756 6.485 1.00 0.00 C ATOM 268 CD LYS A 37 -3.803 -7.078 7.891 1.00 0.00 C ATOM 269 CE LYS A 37 -4.970 -7.302 8.840 1.00 0.00 C ATOM 270 NZ LYS A 37 -5.835 -8.431 8.402 1.00 0.00 N ATOM 0 H LYS A 37 -1.445 -6.297 7.462 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.872 -4.835 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.503 -6.388 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.452 -7.345 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.941 -5.886 6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.876 -7.588 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.175 -7.969 7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.183 -6.261 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.590 -7.504 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.566 -6.392 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.547 -8.627 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.312 -8.178 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.251 -9.278 8.252 1.00 0.00 H new ATOM 284 N LEU A 38 -3.280 -3.035 5.689 1.00 0.00 N ATOM 285 CA LEU A 38 -4.094 -1.889 6.072 1.00 0.00 C ATOM 286 C LEU A 38 -5.467 -1.974 5.407 1.00 0.00 C ATOM 287 O LEU A 38 -5.586 -2.398 4.254 1.00 0.00 O ATOM 288 CB LEU A 38 -3.383 -0.581 5.678 1.00 0.00 C ATOM 289 CG LEU A 38 -4.302 0.591 5.314 1.00 0.00 C ATOM 290 CD1 LEU A 38 -5.116 1.026 6.523 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.484 1.756 4.780 1.00 0.00 C ATOM 0 H LEU A 38 -2.793 -2.922 4.800 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.232 -1.897 7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.743 -0.274 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.731 -0.785 4.829 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.990 0.262 4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.762 1.859 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.727 0.192 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.443 1.339 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.149 2.581 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.776 2.082 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.940 1.441 3.890 1.00 0.00 H new ATOM 303 N VAL A 39 -6.499 -1.576 6.145 1.00 0.00 N ATOM 304 CA VAL A 39 -7.859 -1.599 5.627 1.00 0.00 C ATOM 305 C VAL A 39 -8.047 -0.536 4.551 1.00 0.00 C ATOM 306 O VAL A 39 -7.482 0.555 4.633 1.00 0.00 O ATOM 307 CB VAL A 39 -8.891 -1.370 6.747 1.00 0.00 C ATOM 308 CG1 VAL A 39 -10.308 -1.506 6.210 1.00 0.00 C ATOM 309 CG2 VAL A 39 -8.654 -2.339 7.896 1.00 0.00 C ATOM 0 H VAL A 39 -6.417 -1.234 7.103 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.020 -2.587 5.195 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.769 -0.355 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -11.021 -1.340 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -10.472 -0.768 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.448 -2.507 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.392 -2.163 8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.746 -3.363 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.653 -2.186 8.300 1.00 0.00 H new ATOM 319 N VAL A 40 -8.846 -0.864 3.544 1.00 0.00 N ATOM 320 CA VAL A 40 -9.116 0.051 2.446 1.00 0.00 C ATOM 321 C VAL A 40 -10.508 -0.192 1.890 1.00 0.00 C ATOM 322 O VAL A 40 -11.145 -1.197 2.206 1.00 0.00 O ATOM 323 CB VAL A 40 -8.083 -0.103 1.315 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.740 0.447 1.752 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.953 -1.557 0.899 1.00 0.00 C ATOM 0 H VAL A 40 -9.321 -1.764 3.466 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.048 1.065 2.840 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.429 0.467 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.019 0.332 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.842 1.504 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.391 -0.098 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.218 -1.642 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.630 -2.152 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.917 -1.922 0.546 1.00 0.00 H new ATOM 335 N ARG A 41 -10.968 0.713 1.040 1.00 0.00 N ATOM 336 CA ARG A 41 -12.287 0.586 0.458 1.00 0.00 C ATOM 337 C ARG A 41 -12.441 1.463 -0.782 1.00 0.00 C ATOM 338 O ARG A 41 -12.601 2.673 -0.681 1.00 0.00 O ATOM 339 CB ARG A 41 -13.351 0.917 1.508 1.00 0.00 C ATOM 340 CG ARG A 41 -13.467 2.392 1.865 1.00 0.00 C ATOM 341 CD ARG A 41 -12.189 2.920 2.496 1.00 0.00 C ATOM 342 NE ARG A 41 -12.346 4.288 2.983 1.00 0.00 N ATOM 343 CZ ARG A 41 -11.638 4.810 3.982 1.00 0.00 C ATOM 344 NH1 ARG A 41 -10.716 4.085 4.606 1.00 0.00 N ATOM 345 NH2 ARG A 41 -11.851 6.063 4.361 1.00 0.00 N ATOM 0 H ARG A 41 -10.448 1.538 0.742 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.423 -0.446 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -14.318 0.570 1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.131 0.355 2.416 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.694 2.967 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.299 2.535 2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.898 2.272 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.382 2.886 1.764 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.042 4.880 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.546 3.121 4.320 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.178 4.493 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.557 6.626 3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.309 6.463 5.126 1.00 0.00 H new ATOM 359 N SER A 42 -12.350 0.820 -1.946 1.00 0.00 N ATOM 360 CA SER A 42 -12.490 1.456 -3.266 1.00 0.00 C ATOM 361 C SER A 42 -11.917 2.880 -3.367 1.00 0.00 C ATOM 362 O SER A 42 -11.188 3.188 -4.309 1.00 0.00 O ATOM 363 CB SER A 42 -13.966 1.480 -3.669 1.00 0.00 C ATOM 364 OG SER A 42 -14.742 2.182 -2.715 1.00 0.00 O ATOM 0 H SER A 42 -12.173 -0.183 -2.004 1.00 0.00 H new ATOM 0 HA SER A 42 -11.895 0.846 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.072 1.951 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.337 0.460 -3.765 1.00 0.00 H new ATOM 0 HG SER A 42 -15.328 1.554 -2.244 1.00 0.00 H new ATOM 370 N THR A 43 -12.235 3.745 -2.413 1.00 0.00 N ATOM 371 CA THR A 43 -11.735 5.113 -2.430 1.00 0.00 C ATOM 372 C THR A 43 -10.379 5.226 -1.741 1.00 0.00 C ATOM 373 O THR A 43 -9.738 6.276 -1.795 1.00 0.00 O ATOM 374 CB THR A 43 -12.723 6.078 -1.749 1.00 0.00 C ATOM 375 OG1 THR A 43 -12.932 5.686 -0.387 1.00 0.00 O ATOM 376 CG2 THR A 43 -14.055 6.100 -2.485 1.00 0.00 C ATOM 0 H THR A 43 -12.836 3.524 -1.619 1.00 0.00 H new ATOM 0 HA THR A 43 -11.624 5.389 -3.479 1.00 0.00 H new ATOM 0 HB THR A 43 -12.294 7.080 -1.777 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.560 6.306 0.039 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.736 6.789 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.898 6.428 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.487 5.099 -2.485 1.00 0.00 H new ATOM 384 N ASP A 44 -9.940 4.150 -1.093 1.00 0.00 N ATOM 385 CA ASP A 44 -8.661 4.161 -0.400 1.00 0.00 C ATOM 386 C ASP A 44 -7.501 3.924 -1.373 1.00 0.00 C ATOM 387 O ASP A 44 -6.761 4.851 -1.698 1.00 0.00 O ATOM 388 CB ASP A 44 -8.647 3.117 0.717 1.00 0.00 C ATOM 389 CG ASP A 44 -8.051 3.661 2.003 1.00 0.00 C ATOM 390 OD1 ASP A 44 -6.811 3.627 2.146 1.00 0.00 O ATOM 391 OD2 ASP A 44 -8.827 4.122 2.866 1.00 0.00 O ATOM 0 H ASP A 44 -10.448 3.268 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.529 5.147 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.665 2.776 0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.075 2.248 0.393 1.00 0.00 H new ATOM 396 N THR A 45 -7.346 2.681 -1.829 1.00 0.00 N ATOM 397 CA THR A 45 -6.279 2.322 -2.767 1.00 0.00 C ATOM 398 C THR A 45 -4.900 2.697 -2.246 1.00 0.00 C ATOM 399 O THR A 45 -4.772 3.528 -1.361 1.00 0.00 O ATOM 400 CB THR A 45 -6.469 2.990 -4.140 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.450 4.415 -4.009 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.774 2.555 -4.778 1.00 0.00 C ATOM 0 H THR A 45 -7.948 1.902 -1.563 1.00 0.00 H new ATOM 0 HA THR A 45 -6.343 1.239 -2.873 1.00 0.00 H new ATOM 0 HB THR A 45 -5.645 2.677 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.116 4.657 -3.120 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.885 3.041 -5.747 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.770 1.473 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.606 2.838 -4.133 1.00 0.00 H new ATOM 410 N VAL A 46 -3.874 2.080 -2.823 1.00 0.00 N ATOM 411 CA VAL A 46 -2.478 2.323 -2.452 1.00 0.00 C ATOM 412 C VAL A 46 -2.230 3.780 -2.023 1.00 0.00 C ATOM 413 O VAL A 46 -1.355 4.040 -1.202 1.00 0.00 O ATOM 414 CB VAL A 46 -1.524 1.925 -3.603 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.175 2.615 -3.473 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.337 0.411 -3.635 1.00 0.00 C ATOM 0 H VAL A 46 -3.985 1.391 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.267 1.693 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.979 2.250 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.470 2.312 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.315 3.696 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.289 2.332 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.663 0.145 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.912 0.077 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.302 -0.072 -3.790 1.00 0.00 H new ATOM 426 N PHE A 47 -2.990 4.723 -2.582 1.00 0.00 N ATOM 427 CA PHE A 47 -2.853 6.134 -2.214 1.00 0.00 C ATOM 428 C PHE A 47 -3.243 6.315 -0.761 1.00 0.00 C ATOM 429 O PHE A 47 -2.391 6.581 0.085 1.00 0.00 O ATOM 430 CB PHE A 47 -3.723 7.013 -3.120 1.00 0.00 C ATOM 431 CG PHE A 47 -3.682 8.474 -2.770 1.00 0.00 C ATOM 432 CD1 PHE A 47 -4.457 8.976 -1.737 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.865 9.345 -3.474 1.00 0.00 C ATOM 434 CE1 PHE A 47 -4.419 10.319 -1.413 1.00 0.00 C ATOM 435 CE2 PHE A 47 -2.823 10.689 -3.155 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.601 11.176 -2.123 1.00 0.00 C ATOM 0 H PHE A 47 -3.703 4.537 -3.287 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.815 6.440 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.398 6.887 -4.153 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.755 6.665 -3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.098 8.310 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.254 8.969 -4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.028 10.698 -0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.183 11.357 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.570 12.226 -1.871 1.00 0.00 H new ATOM 446 N HIS A 48 -4.530 6.174 -0.465 1.00 0.00 N ATOM 447 CA HIS A 48 -4.980 6.272 0.912 1.00 0.00 C ATOM 448 C HIS A 48 -4.256 5.204 1.705 1.00 0.00 C ATOM 449 O HIS A 48 -3.835 5.420 2.838 1.00 0.00 O ATOM 450 CB HIS A 48 -6.478 6.071 1.009 1.00 0.00 C ATOM 451 CG HIS A 48 -7.277 7.170 0.379 1.00 0.00 C ATOM 452 ND1 HIS A 48 -8.041 8.058 1.107 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.435 7.521 -0.921 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.635 8.904 0.285 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.283 8.600 -0.951 1.00 0.00 N ATOM 0 H HIS A 48 -5.266 5.995 -1.148 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.760 7.264 1.307 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.740 5.126 0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.757 5.988 2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.979 7.041 -1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.296 9.708 0.574 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.591 9.088 -1.792 1.00 0.00 H new ATOM 464 N MET A 49 -4.144 4.028 1.091 1.00 0.00 N ATOM 465 CA MET A 49 -3.397 2.930 1.675 1.00 0.00 C ATOM 466 C MET A 49 -2.092 3.497 2.206 1.00 0.00 C ATOM 467 O MET A 49 -1.698 3.256 3.344 1.00 0.00 O ATOM 468 CB MET A 49 -3.090 1.877 0.614 1.00 0.00 C ATOM 469 CG MET A 49 -2.558 0.570 1.178 1.00 0.00 C ATOM 470 SD MET A 49 -3.764 -0.287 2.202 1.00 0.00 S ATOM 471 CE MET A 49 -2.885 -1.799 2.571 1.00 0.00 C ATOM 0 H MET A 49 -4.565 3.816 0.186 1.00 0.00 H new ATOM 0 HA MET A 49 -3.977 2.462 2.470 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.997 1.673 0.045 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.360 2.283 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.258 -0.080 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.664 0.771 1.768 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.576 -2.526 2.998 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.454 -2.202 1.655 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.089 -1.592 3.286 1.00 0.00 H new ATOM 481 N LYS A 50 -1.452 4.285 1.338 1.00 0.00 N ATOM 482 CA LYS A 50 -0.207 4.960 1.658 1.00 0.00 C ATOM 483 C LYS A 50 -0.476 6.011 2.719 1.00 0.00 C ATOM 484 O LYS A 50 0.341 6.236 3.613 1.00 0.00 O ATOM 485 CB LYS A 50 0.388 5.599 0.388 1.00 0.00 C ATOM 486 CG LYS A 50 0.993 6.985 0.584 1.00 0.00 C ATOM 487 CD LYS A 50 -0.023 8.085 0.318 1.00 0.00 C ATOM 488 CE LYS A 50 0.593 9.465 0.486 1.00 0.00 C ATOM 489 NZ LYS A 50 -0.398 10.549 0.243 1.00 0.00 N ATOM 0 H LYS A 50 -1.790 4.469 0.393 1.00 0.00 H new ATOM 0 HA LYS A 50 0.517 4.243 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.158 4.936 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.395 5.665 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.370 7.077 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.846 7.108 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.416 7.982 -0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.866 7.976 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.997 9.562 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.429 9.576 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.061 11.474 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.765 10.473 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.184 10.459 0.919 1.00 0.00 H new ATOM 503 N ARG A 51 -1.636 6.655 2.611 1.00 0.00 N ATOM 504 CA ARG A 51 -2.025 7.670 3.569 1.00 0.00 C ATOM 505 C ARG A 51 -1.921 7.100 4.982 1.00 0.00 C ATOM 506 O ARG A 51 -1.138 7.570 5.816 1.00 0.00 O ATOM 507 CB ARG A 51 -3.453 8.158 3.302 1.00 0.00 C ATOM 508 CG ARG A 51 -3.874 9.317 4.190 1.00 0.00 C ATOM 509 CD ARG A 51 -2.976 10.528 3.993 1.00 0.00 C ATOM 510 NE ARG A 51 -3.366 11.643 4.851 1.00 0.00 N ATOM 511 CZ ARG A 51 -2.800 12.847 4.807 1.00 0.00 C ATOM 512 NH1 ARG A 51 -1.818 13.096 3.948 1.00 0.00 N ATOM 513 NH2 ARG A 51 -3.215 13.806 5.624 1.00 0.00 N ATOM 0 H ARG A 51 -2.317 6.488 1.870 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.353 8.522 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.535 8.462 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.145 7.329 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.906 9.589 3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.843 9.006 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.943 10.252 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.015 10.842 2.950 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.117 11.490 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.494 12.363 3.317 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.388 14.021 3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.968 13.621 6.286 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.781 14.728 5.590 1.00 0.00 H new ATOM 527 N ARG A 52 -2.707 6.056 5.224 1.00 0.00 N ATOM 528 CA ARG A 52 -2.713 5.384 6.511 1.00 0.00 C ATOM 529 C ARG A 52 -1.483 4.489 6.654 1.00 0.00 C ATOM 530 O ARG A 52 -1.204 3.980 7.737 1.00 0.00 O ATOM 531 CB ARG A 52 -3.993 4.564 6.682 1.00 0.00 C ATOM 532 CG ARG A 52 -5.257 5.408 6.675 1.00 0.00 C ATOM 533 CD ARG A 52 -6.488 4.574 6.996 1.00 0.00 C ATOM 534 NE ARG A 52 -6.435 4.018 8.346 1.00 0.00 N ATOM 535 CZ ARG A 52 -7.498 3.556 9.000 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.697 3.582 8.432 1.00 0.00 N ATOM 537 NH2 ARG A 52 -7.361 3.069 10.225 1.00 0.00 N ATOM 0 H ARG A 52 -3.350 5.658 4.539 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.681 6.142 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.053 3.827 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.939 4.012 7.620 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.162 6.213 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.378 5.875 5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.381 5.191 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.575 3.763 6.273 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.530 3.982 8.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.807 3.957 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.509 3.227 8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.441 3.049 10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.175 2.715 10.727 1.00 0.00 H new ATOM 551 N LEU A 53 -0.761 4.278 5.549 1.00 0.00 N ATOM 552 CA LEU A 53 0.455 3.473 5.586 1.00 0.00 C ATOM 553 C LEU A 53 1.474 4.165 6.482 1.00 0.00 C ATOM 554 O LEU A 53 2.004 3.566 7.415 1.00 0.00 O ATOM 555 CB LEU A 53 1.013 3.277 4.173 1.00 0.00 C ATOM 556 CG LEU A 53 2.191 2.308 4.049 1.00 0.00 C ATOM 557 CD1 LEU A 53 1.825 0.948 4.619 1.00 0.00 C ATOM 558 CD2 LEU A 53 2.618 2.181 2.594 1.00 0.00 C ATOM 0 H LEU A 53 -0.997 4.651 4.629 1.00 0.00 H new ATOM 0 HA LEU A 53 0.231 2.486 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.207 2.923 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.324 4.248 3.788 1.00 0.00 H new ATOM 0 HG LEU A 53 3.029 2.704 4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.675 0.272 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.563 1.053 5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.974 0.541 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.457 1.489 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.784 1.805 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.920 3.158 2.217 1.00 0.00 H new ATOM 570 N HIS A 54 1.750 5.434 6.191 1.00 0.00 N ATOM 571 CA HIS A 54 2.663 6.213 7.010 1.00 0.00 C ATOM 572 C HIS A 54 2.038 6.465 8.378 1.00 0.00 C ATOM 573 O HIS A 54 2.698 6.332 9.409 1.00 0.00 O ATOM 574 CB HIS A 54 2.987 7.550 6.337 1.00 0.00 C ATOM 575 CG HIS A 54 3.733 8.497 7.229 1.00 0.00 C ATOM 576 ND1 HIS A 54 5.100 8.454 7.400 1.00 0.00 N ATOM 577 CD2 HIS A 54 3.290 9.505 8.018 1.00 0.00 C ATOM 578 CE1 HIS A 54 5.467 9.390 8.257 1.00 0.00 C ATOM 579 NE2 HIS A 54 4.386 10.043 8.647 1.00 0.00 N ATOM 0 H HIS A 54 1.355 5.939 5.398 1.00 0.00 H new ATOM 0 HA HIS A 54 3.589 5.651 7.129 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.578 7.364 5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.059 8.021 6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.265 9.826 8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.477 9.588 8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.369 10.820 9.308 1.00 0.00 H new ATOM 588 N ALA A 55 0.756 6.832 8.376 1.00 0.00 N ATOM 589 CA ALA A 55 0.042 7.107 9.618 1.00 0.00 C ATOM 590 C ALA A 55 0.054 5.901 10.555 1.00 0.00 C ATOM 591 O ALA A 55 0.202 6.052 11.768 1.00 0.00 O ATOM 592 CB ALA A 55 -1.389 7.529 9.322 1.00 0.00 C ATOM 0 H ALA A 55 0.195 6.945 7.531 1.00 0.00 H new ATOM 0 HA ALA A 55 0.559 7.924 10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.910 7.731 10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.383 8.430 8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.901 6.729 8.787 1.00 0.00 H new ATOM 598 N ALA A 56 -0.105 4.705 9.994 1.00 0.00 N ATOM 599 CA ALA A 56 -0.119 3.485 10.793 1.00 0.00 C ATOM 600 C ALA A 56 1.281 2.901 10.950 1.00 0.00 C ATOM 601 O ALA A 56 1.678 2.512 12.049 1.00 0.00 O ATOM 602 CB ALA A 56 -1.053 2.460 10.167 1.00 0.00 C ATOM 0 H ALA A 56 -0.226 4.556 8.992 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.483 3.741 11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.056 1.553 10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.063 2.868 10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.711 2.223 9.160 1.00 0.00 H new ATOM 608 N GLU A 57 2.024 2.842 9.851 1.00 0.00 N ATOM 609 CA GLU A 57 3.374 2.292 9.875 1.00 0.00 C ATOM 610 C GLU A 57 4.405 3.380 10.165 1.00 0.00 C ATOM 611 O GLU A 57 5.081 3.348 11.193 1.00 0.00 O ATOM 612 CB GLU A 57 3.691 1.604 8.544 1.00 0.00 C ATOM 613 CG GLU A 57 2.524 0.810 7.970 1.00 0.00 C ATOM 614 CD GLU A 57 1.895 -0.137 8.976 1.00 0.00 C ATOM 615 OE1 GLU A 57 1.613 0.299 10.111 1.00 0.00 O ATOM 616 OE2 GLU A 57 1.674 -1.312 8.621 1.00 0.00 O ATOM 0 H GLU A 57 1.716 3.167 8.935 1.00 0.00 H new ATOM 0 HA GLU A 57 3.424 1.554 10.676 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.997 2.359 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.540 0.935 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.764 1.503 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.870 0.238 7.109 1.00 0.00 H new ATOM 623 N GLY A 58 4.519 4.343 9.255 1.00 0.00 N ATOM 624 CA GLY A 58 5.468 5.428 9.443 1.00 0.00 C ATOM 625 C GLY A 58 6.204 5.810 8.169 1.00 0.00 C ATOM 626 O GLY A 58 6.938 6.798 8.148 1.00 0.00 O ATOM 0 H GLY A 58 3.974 4.392 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.940 6.302 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.195 5.138 10.202 1.00 0.00 H new ATOM 630 N VAL A 59 6.014 5.033 7.105 1.00 0.00 N ATOM 631 CA VAL A 59 6.672 5.302 5.833 1.00 0.00 C ATOM 632 C VAL A 59 5.829 6.218 4.941 1.00 0.00 C ATOM 633 O VAL A 59 4.771 5.823 4.463 1.00 0.00 O ATOM 634 CB VAL A 59 6.954 3.985 5.086 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.694 4.243 3.784 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.751 3.042 5.969 1.00 0.00 C ATOM 0 H VAL A 59 5.409 4.212 7.101 1.00 0.00 H new ATOM 0 HA VAL A 59 7.611 5.808 6.056 1.00 0.00 H new ATOM 0 HB VAL A 59 5.998 3.520 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.880 3.296 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.090 4.885 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.644 4.734 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.944 2.115 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.698 3.509 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.184 2.824 6.874 1.00 0.00 H new ATOM 646 N GLU A 60 6.311 7.442 4.733 1.00 0.00 N ATOM 647 CA GLU A 60 5.627 8.426 3.887 1.00 0.00 C ATOM 648 C GLU A 60 5.859 8.129 2.402 1.00 0.00 C ATOM 649 O GLU A 60 6.672 7.271 2.057 1.00 0.00 O ATOM 650 CB GLU A 60 6.127 9.838 4.214 1.00 0.00 C ATOM 651 CG GLU A 60 5.155 10.662 5.045 1.00 0.00 C ATOM 652 CD GLU A 60 5.604 12.101 5.207 1.00 0.00 C ATOM 653 OE1 GLU A 60 5.234 12.938 4.357 1.00 0.00 O ATOM 654 OE2 GLU A 60 6.324 12.392 6.186 1.00 0.00 O ATOM 0 H GLU A 60 7.182 7.781 5.142 1.00 0.00 H new ATOM 0 HA GLU A 60 4.558 8.362 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.073 9.762 4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.330 10.365 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.172 10.642 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.046 10.206 6.029 1.00 0.00 H new ATOM 661 N PRO A 61 5.151 8.842 1.498 1.00 0.00 N ATOM 662 CA PRO A 61 5.285 8.653 0.051 1.00 0.00 C ATOM 663 C PRO A 61 6.739 8.532 -0.394 1.00 0.00 C ATOM 664 O PRO A 61 7.098 7.608 -1.124 1.00 0.00 O ATOM 665 CB PRO A 61 4.642 9.916 -0.551 1.00 0.00 C ATOM 666 CG PRO A 61 4.256 10.780 0.608 1.00 0.00 C ATOM 667 CD PRO A 61 4.158 9.876 1.802 1.00 0.00 C ATOM 0 HA PRO A 61 4.812 7.726 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.341 10.434 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.770 9.660 -1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.998 11.561 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.305 11.278 0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.389 10.401 2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.158 9.458 1.914 1.00 0.00 H new ATOM 675 N GLY A 62 7.575 9.467 0.049 1.00 0.00 N ATOM 676 CA GLY A 62 8.980 9.433 -0.315 1.00 0.00 C ATOM 677 C GLY A 62 9.628 8.103 0.016 1.00 0.00 C ATOM 678 O GLY A 62 10.506 7.631 -0.708 1.00 0.00 O ATOM 0 H GLY A 62 7.306 10.245 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.081 9.628 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.508 10.232 0.207 1.00 0.00 H new ATOM 682 N SER A 63 9.190 7.497 1.114 1.00 0.00 N ATOM 683 CA SER A 63 9.722 6.211 1.549 1.00 0.00 C ATOM 684 C SER A 63 8.791 5.062 1.160 1.00 0.00 C ATOM 685 O SER A 63 9.088 3.897 1.428 1.00 0.00 O ATOM 686 CB SER A 63 9.935 6.216 3.063 1.00 0.00 C ATOM 687 OG SER A 63 10.791 7.276 3.454 1.00 0.00 O ATOM 0 H SER A 63 8.465 7.878 1.721 1.00 0.00 H new ATOM 0 HA SER A 63 10.678 6.058 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.974 6.315 3.568 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.363 5.264 3.376 1.00 0.00 H new ATOM 0 HG SER A 63 10.910 7.259 4.427 1.00 0.00 H new ATOM 693 N GLN A 64 7.665 5.392 0.532 1.00 0.00 N ATOM 694 CA GLN A 64 6.699 4.381 0.117 1.00 0.00 C ATOM 695 C GLN A 64 6.881 4.008 -1.351 1.00 0.00 C ATOM 696 O GLN A 64 6.039 4.332 -2.190 1.00 0.00 O ATOM 697 CB GLN A 64 5.273 4.886 0.336 1.00 0.00 C ATOM 698 CG GLN A 64 4.859 4.967 1.794 1.00 0.00 C ATOM 699 CD GLN A 64 3.691 5.904 2.005 1.00 0.00 C ATOM 700 OE1 GLN A 64 3.539 6.892 1.291 1.00 0.00 O ATOM 701 NE2 GLN A 64 2.861 5.600 2.991 1.00 0.00 N ATOM 0 H GLN A 64 7.400 6.349 0.300 1.00 0.00 H new ATOM 0 HA GLN A 64 6.871 3.494 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.177 5.875 -0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.582 4.228 -0.190 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.593 3.972 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.706 5.304 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.026 4.769 3.559 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.056 6.197 3.183 1.00 0.00 H new ATOM 710 N ARG A 65 7.976 3.327 -1.664 1.00 0.00 N ATOM 711 CA ARG A 65 8.227 2.905 -3.035 1.00 0.00 C ATOM 712 C ARG A 65 7.436 1.639 -3.337 1.00 0.00 C ATOM 713 O ARG A 65 7.902 0.530 -3.074 1.00 0.00 O ATOM 714 CB ARG A 65 9.719 2.665 -3.262 1.00 0.00 C ATOM 715 CG ARG A 65 10.555 3.933 -3.195 1.00 0.00 C ATOM 716 CD ARG A 65 11.999 3.673 -3.591 1.00 0.00 C ATOM 717 NE ARG A 65 12.784 4.904 -3.644 1.00 0.00 N ATOM 718 CZ ARG A 65 14.005 4.984 -4.167 1.00 0.00 C ATOM 719 NH1 ARG A 65 14.586 3.907 -4.683 1.00 0.00 N ATOM 720 NH2 ARG A 65 14.648 6.143 -4.176 1.00 0.00 N ATOM 0 H ARG A 65 8.697 3.058 -0.995 1.00 0.00 H new ATOM 0 HA ARG A 65 7.904 3.698 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.083 1.960 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.859 2.198 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.126 4.687 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.522 4.338 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.452 2.985 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.025 3.185 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 65 12.372 5.753 -3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.096 3.012 -4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.522 3.975 -5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.207 6.974 -3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.584 6.204 -4.577 1.00 0.00 H new ATOM 734 N TRP A 66 6.235 1.819 -3.886 1.00 0.00 N ATOM 735 CA TRP A 66 5.356 0.698 -4.210 1.00 0.00 C ATOM 736 C TRP A 66 5.902 -0.120 -5.375 1.00 0.00 C ATOM 737 O TRP A 66 6.244 0.422 -6.427 1.00 0.00 O ATOM 738 CB TRP A 66 3.956 1.208 -4.553 1.00 0.00 C ATOM 739 CG TRP A 66 3.436 2.217 -3.578 1.00 0.00 C ATOM 740 CD1 TRP A 66 2.743 1.968 -2.429 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.565 3.639 -3.669 1.00 0.00 C ATOM 742 NE1 TRP A 66 2.434 3.149 -1.800 1.00 0.00 N ATOM 743 CE2 TRP A 66 2.928 4.189 -2.542 1.00 0.00 C ATOM 744 CE3 TRP A 66 4.160 4.503 -4.595 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.869 5.561 -2.316 1.00 0.00 C ATOM 746 CZ3 TRP A 66 4.100 5.865 -4.369 1.00 0.00 C ATOM 747 CH2 TRP A 66 3.459 6.382 -3.237 1.00 0.00 C ATOM 0 H TRP A 66 5.848 2.734 -4.116 1.00 0.00 H new ATOM 0 HA TRP A 66 5.306 0.053 -3.333 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.973 1.651 -5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 66 3.269 0.363 -4.591 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.477 0.986 -2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.920 3.237 -0.923 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.657 4.112 -5.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.375 5.963 -1.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 4.555 6.542 -5.077 1.00 0.00 H new ATOM 0 HH2 TRP A 66 3.430 7.451 -3.088 1.00 0.00 H new ATOM 758 N PHE A 67 5.952 -1.434 -5.188 1.00 0.00 N ATOM 759 CA PHE A 67 6.458 -2.334 -6.213 1.00 0.00 C ATOM 760 C PHE A 67 5.660 -3.634 -6.250 1.00 0.00 C ATOM 761 O PHE A 67 5.841 -4.514 -5.411 1.00 0.00 O ATOM 762 CB PHE A 67 7.940 -2.634 -5.977 1.00 0.00 C ATOM 763 CG PHE A 67 8.862 -1.578 -6.516 1.00 0.00 C ATOM 764 CD1 PHE A 67 9.111 -1.486 -7.876 1.00 0.00 C ATOM 765 CD2 PHE A 67 9.481 -0.678 -5.663 1.00 0.00 C ATOM 766 CE1 PHE A 67 9.960 -0.517 -8.376 1.00 0.00 C ATOM 767 CE2 PHE A 67 10.332 0.292 -6.157 1.00 0.00 C ATOM 768 CZ PHE A 67 10.572 0.374 -7.515 1.00 0.00 C ATOM 0 H PHE A 67 5.647 -1.899 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 67 6.345 -1.838 -7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.114 -2.744 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.186 -3.590 -6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.636 -2.180 -8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.296 -0.735 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.145 -0.456 -9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.810 0.986 -5.481 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.236 1.132 -7.903 1.00 0.00 H new ATOM 778 N PHE A 68 4.766 -3.738 -7.225 1.00 0.00 N ATOM 779 CA PHE A 68 3.942 -4.928 -7.391 1.00 0.00 C ATOM 780 C PHE A 68 4.399 -5.724 -8.606 1.00 0.00 C ATOM 781 O PHE A 68 4.544 -5.175 -9.700 1.00 0.00 O ATOM 782 CB PHE A 68 2.476 -4.536 -7.556 1.00 0.00 C ATOM 783 CG PHE A 68 1.533 -5.705 -7.536 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.278 -6.425 -8.692 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.903 -6.082 -6.362 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.411 -7.500 -8.676 1.00 0.00 C ATOM 787 CE2 PHE A 68 0.034 -7.156 -6.339 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.212 -7.867 -7.498 1.00 0.00 C ATOM 0 H PHE A 68 4.593 -3.008 -7.916 1.00 0.00 H new ATOM 0 HA PHE A 68 4.048 -5.547 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.202 -3.845 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.356 -4.000 -8.497 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.762 -6.143 -9.615 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.093 -5.530 -5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.220 -8.054 -9.583 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.452 -7.439 -5.417 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.890 -8.708 -7.483 1.00 0.00 H new ATOM 798 N SER A 69 4.632 -7.017 -8.412 1.00 0.00 N ATOM 799 CA SER A 69 5.080 -7.882 -9.498 1.00 0.00 C ATOM 800 C SER A 69 6.431 -7.422 -10.049 1.00 0.00 C ATOM 801 O SER A 69 6.873 -7.889 -11.099 1.00 0.00 O ATOM 802 CB SER A 69 4.042 -7.904 -10.622 1.00 0.00 C ATOM 803 OG SER A 69 4.460 -8.741 -11.687 1.00 0.00 O ATOM 0 H SER A 69 4.519 -7.489 -7.515 1.00 0.00 H new ATOM 0 HA SER A 69 5.197 -8.889 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.087 -8.256 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.881 -6.892 -10.993 1.00 0.00 H new ATOM 0 HG SER A 69 5.421 -8.621 -11.840 1.00 0.00 H new ATOM 809 N GLY A 70 7.085 -6.506 -9.335 1.00 0.00 N ATOM 810 CA GLY A 70 8.375 -6.005 -9.769 1.00 0.00 C ATOM 811 C GLY A 70 8.265 -4.745 -10.605 1.00 0.00 C ATOM 812 O GLY A 70 9.121 -4.473 -11.446 1.00 0.00 O ATOM 0 H GLY A 70 6.742 -6.103 -8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.994 -5.803 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.883 -6.776 -10.348 1.00 0.00 H new ATOM 816 N ARG A 71 7.208 -3.978 -10.372 1.00 0.00 N ATOM 817 CA ARG A 71 6.985 -2.736 -11.101 1.00 0.00 C ATOM 818 C ARG A 71 6.405 -1.677 -10.169 1.00 0.00 C ATOM 819 O ARG A 71 5.844 -2.009 -9.127 1.00 0.00 O ATOM 820 CB ARG A 71 6.038 -2.974 -12.279 1.00 0.00 C ATOM 821 CG ARG A 71 6.582 -3.955 -13.306 1.00 0.00 C ATOM 822 CD ARG A 71 5.572 -4.220 -14.410 1.00 0.00 C ATOM 823 NE ARG A 71 6.107 -5.110 -15.438 1.00 0.00 N ATOM 824 CZ ARG A 71 5.568 -5.254 -16.647 1.00 0.00 C ATOM 825 NH1 ARG A 71 4.484 -4.567 -16.985 1.00 0.00 N ATOM 826 NH2 ARG A 71 6.118 -6.087 -17.520 1.00 0.00 N ATOM 0 H ARG A 71 6.489 -4.195 -9.682 1.00 0.00 H new ATOM 0 HA ARG A 71 7.941 -2.382 -11.487 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.086 -3.347 -11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.835 -2.022 -12.770 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.501 -3.559 -13.739 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.840 -4.893 -12.814 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.673 -4.661 -13.981 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.277 -3.275 -14.866 1.00 0.00 H new ATOM 0 HE ARG A 71 6.942 -5.653 -15.217 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.059 -3.924 -16.317 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.076 -4.682 -17.913 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.952 -6.616 -17.265 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.707 -6.199 -18.447 1.00 0.00 H new ATOM 840 N PRO A 72 6.510 -0.389 -10.537 1.00 0.00 N ATOM 841 CA PRO A 72 5.994 0.706 -9.712 1.00 0.00 C ATOM 842 C PRO A 72 4.472 0.699 -9.668 1.00 0.00 C ATOM 843 O PRO A 72 3.812 1.073 -10.637 1.00 0.00 O ATOM 844 CB PRO A 72 6.504 1.973 -10.415 1.00 0.00 C ATOM 845 CG PRO A 72 7.532 1.505 -11.393 1.00 0.00 C ATOM 846 CD PRO A 72 7.144 0.104 -11.766 1.00 0.00 C ATOM 0 HA PRO A 72 6.323 0.630 -8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.691 2.495 -10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.935 2.672 -9.698 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.556 2.150 -12.272 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.529 1.529 -10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.457 0.085 -12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.010 -0.496 -12.045 1.00 0.00 H new ATOM 854 N LEU A 73 3.923 0.271 -8.535 1.00 0.00 N ATOM 855 CA LEU A 73 2.474 0.193 -8.376 1.00 0.00 C ATOM 856 C LEU A 73 1.839 1.578 -8.288 1.00 0.00 C ATOM 857 O LEU A 73 2.479 2.546 -7.876 1.00 0.00 O ATOM 858 CB LEU A 73 2.124 -0.623 -7.130 1.00 0.00 C ATOM 859 CG LEU A 73 0.663 -1.058 -7.042 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.275 -1.895 -8.251 1.00 0.00 C ATOM 861 CD2 LEU A 73 0.399 -1.819 -5.754 1.00 0.00 C ATOM 0 H LEU A 73 4.456 -0.026 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 73 2.071 -0.302 -9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.756 -1.511 -7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.367 -0.034 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 73 0.045 -0.160 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.770 -2.194 -8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.412 -1.308 -9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.904 -2.784 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.649 -2.117 -5.716 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.031 -2.707 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.625 -1.180 -4.901 1.00 0.00 H new ATOM 872 N THR A 74 0.569 1.658 -8.684 1.00 0.00 N ATOM 873 CA THR A 74 -0.175 2.915 -8.657 1.00 0.00 C ATOM 874 C THR A 74 -0.838 3.123 -7.296 1.00 0.00 C ATOM 875 O THR A 74 -0.934 2.194 -6.496 1.00 0.00 O ATOM 876 CB THR A 74 -1.254 2.943 -9.758 1.00 0.00 C ATOM 877 OG1 THR A 74 -0.718 2.429 -10.983 1.00 0.00 O ATOM 878 CG2 THR A 74 -1.769 4.356 -9.987 1.00 0.00 C ATOM 0 H THR A 74 0.032 0.862 -9.029 1.00 0.00 H new ATOM 0 HA THR A 74 0.537 3.720 -8.837 1.00 0.00 H new ATOM 0 HB THR A 74 -2.085 2.319 -9.429 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.410 2.449 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.529 4.344 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.204 4.739 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.944 4.999 -10.293 1.00 0.00 H new ATOM 886 N ASP A 75 -1.288 4.348 -7.040 1.00 0.00 N ATOM 887 CA ASP A 75 -1.925 4.687 -5.777 1.00 0.00 C ATOM 888 C ASP A 75 -3.444 4.483 -5.838 1.00 0.00 C ATOM 889 O ASP A 75 -4.158 4.807 -4.889 1.00 0.00 O ATOM 890 CB ASP A 75 -1.594 6.134 -5.406 1.00 0.00 C ATOM 891 CG ASP A 75 -0.173 6.520 -5.773 1.00 0.00 C ATOM 892 OD1 ASP A 75 0.040 6.993 -6.909 1.00 0.00 O ATOM 893 OD2 ASP A 75 0.727 6.348 -4.923 1.00 0.00 O ATOM 0 H ASP A 75 -1.221 5.125 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.537 4.018 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.290 6.803 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.739 6.273 -4.335 1.00 0.00 H new ATOM 898 N LYS A 76 -3.932 3.950 -6.959 1.00 0.00 N ATOM 899 CA LYS A 76 -5.361 3.696 -7.141 1.00 0.00 C ATOM 900 C LYS A 76 -5.583 2.243 -7.557 1.00 0.00 C ATOM 901 O LYS A 76 -6.365 1.951 -8.462 1.00 0.00 O ATOM 902 CB LYS A 76 -5.938 4.638 -8.202 1.00 0.00 C ATOM 903 CG LYS A 76 -5.832 6.108 -7.834 1.00 0.00 C ATOM 904 CD LYS A 76 -6.434 6.997 -8.910 1.00 0.00 C ATOM 905 CE LYS A 76 -6.344 8.467 -8.536 1.00 0.00 C ATOM 906 NZ LYS A 76 -7.068 8.764 -7.270 1.00 0.00 N ATOM 0 H LYS A 76 -3.355 3.685 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.872 3.879 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.419 4.470 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.986 4.388 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.342 6.285 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.785 6.372 -7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.915 6.829 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.478 6.724 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.297 8.751 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.759 9.072 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.173 9.793 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.009 8.321 -7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.529 8.386 -6.465 1.00 0.00 H new ATOM 920 N MET A 77 -4.882 1.339 -6.879 1.00 0.00 N ATOM 921 CA MET A 77 -4.944 -0.090 -7.192 1.00 0.00 C ATOM 922 C MET A 77 -6.017 -0.872 -6.426 1.00 0.00 C ATOM 923 O MET A 77 -6.497 -1.892 -6.923 1.00 0.00 O ATOM 924 CB MET A 77 -3.587 -0.718 -6.905 1.00 0.00 C ATOM 925 CG MET A 77 -2.423 0.024 -7.541 1.00 0.00 C ATOM 926 SD MET A 77 -2.244 -0.324 -9.305 1.00 0.00 S ATOM 927 CE MET A 77 -3.665 0.527 -9.988 1.00 0.00 C ATOM 0 H MET A 77 -4.260 1.570 -6.104 1.00 0.00 H new ATOM 0 HA MET A 77 -5.217 -0.152 -8.245 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.436 -0.757 -5.826 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.590 -1.747 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.562 1.096 -7.400 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.501 -0.248 -7.027 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.413 0.925 -10.971 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.497 -0.171 -10.082 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.951 1.345 -9.327 1.00 0.00 H new ATOM 937 N LYS A 78 -6.431 -0.406 -5.251 1.00 0.00 N ATOM 938 CA LYS A 78 -7.412 -1.163 -4.468 1.00 0.00 C ATOM 939 C LYS A 78 -8.687 -1.388 -5.267 1.00 0.00 C ATOM 940 O LYS A 78 -9.013 -2.521 -5.626 1.00 0.00 O ATOM 941 CB LYS A 78 -7.736 -0.453 -3.152 1.00 0.00 C ATOM 942 CG LYS A 78 -8.875 -1.085 -2.367 1.00 0.00 C ATOM 943 CD LYS A 78 -8.571 -2.527 -1.996 1.00 0.00 C ATOM 944 CE LYS A 78 -9.004 -3.487 -3.092 1.00 0.00 C ATOM 945 NZ LYS A 78 -9.310 -4.844 -2.557 1.00 0.00 N ATOM 0 H LYS A 78 -6.116 0.466 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.969 -2.132 -4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.842 -0.442 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.989 0.586 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.057 -0.507 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.790 -1.047 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.502 -2.639 -1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.081 -2.780 -1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.885 -3.089 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.215 -3.562 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.153 -5.554 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.688 -5.047 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.302 -4.880 -2.248 1.00 0.00 H new ATOM 959 N PHE A 79 -9.402 -0.313 -5.553 1.00 0.00 N ATOM 960 CA PHE A 79 -10.633 -0.409 -6.318 1.00 0.00 C ATOM 961 C PHE A 79 -10.389 -0.941 -7.734 1.00 0.00 C ATOM 962 O PHE A 79 -11.341 -1.241 -8.453 1.00 0.00 O ATOM 963 CB PHE A 79 -11.307 0.959 -6.415 1.00 0.00 C ATOM 964 CG PHE A 79 -12.667 0.915 -7.049 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.719 0.270 -6.418 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.893 1.514 -8.278 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.972 0.227 -7.000 1.00 0.00 C ATOM 968 CE2 PHE A 79 -14.144 1.473 -8.865 1.00 0.00 C ATOM 969 CZ PHE A 79 -15.185 0.829 -8.225 1.00 0.00 C ATOM 0 H PHE A 79 -9.152 0.634 -5.268 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.279 -1.111 -5.791 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.395 1.383 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.669 1.629 -6.990 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.558 -0.204 -5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.083 2.019 -8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.784 -0.277 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.307 1.944 -9.823 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.163 0.796 -8.681 1.00 0.00 H new ATOM 979 N GLU A 80 -9.123 -1.047 -8.140 1.00 0.00 N ATOM 980 CA GLU A 80 -8.800 -1.520 -9.483 1.00 0.00 C ATOM 981 C GLU A 80 -8.629 -3.036 -9.530 1.00 0.00 C ATOM 982 O GLU A 80 -8.950 -3.672 -10.534 1.00 0.00 O ATOM 983 CB GLU A 80 -7.526 -0.839 -9.988 1.00 0.00 C ATOM 984 CG GLU A 80 -7.128 -1.255 -11.394 1.00 0.00 C ATOM 985 CD GLU A 80 -8.197 -0.933 -12.421 1.00 0.00 C ATOM 986 OE1 GLU A 80 -9.072 -1.793 -12.656 1.00 0.00 O ATOM 987 OE2 GLU A 80 -8.160 0.178 -12.988 1.00 0.00 O ATOM 0 H GLU A 80 -8.314 -0.814 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.638 -1.260 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.668 0.241 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.707 -1.067 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.201 -0.752 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.926 -2.326 -11.409 1.00 0.00 H new ATOM 994 N GLU A 81 -8.125 -3.612 -8.445 1.00 0.00 N ATOM 995 CA GLU A 81 -7.901 -5.044 -8.383 1.00 0.00 C ATOM 996 C GLU A 81 -9.121 -5.724 -7.799 1.00 0.00 C ATOM 997 O GLU A 81 -9.756 -6.561 -8.437 1.00 0.00 O ATOM 998 CB GLU A 81 -6.661 -5.360 -7.546 1.00 0.00 C ATOM 999 CG GLU A 81 -6.175 -6.794 -7.690 1.00 0.00 C ATOM 1000 CD GLU A 81 -5.842 -7.155 -9.124 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -6.747 -7.629 -9.842 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -4.676 -6.964 -9.529 1.00 0.00 O ATOM 0 H GLU A 81 -7.865 -3.106 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.732 -5.419 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.857 -4.683 -7.834 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.882 -5.164 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.291 -6.939 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.942 -7.473 -7.317 1.00 0.00 H new ATOM 1009 N LEU A 82 -9.437 -5.336 -6.566 1.00 0.00 N ATOM 1010 CA LEU A 82 -10.580 -5.866 -5.846 1.00 0.00 C ATOM 1011 C LEU A 82 -10.345 -7.308 -5.399 1.00 0.00 C ATOM 1012 O LEU A 82 -11.103 -7.839 -4.586 1.00 0.00 O ATOM 1013 CB LEU A 82 -11.844 -5.791 -6.702 1.00 0.00 C ATOM 1014 CG LEU A 82 -12.236 -4.401 -7.213 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -12.172 -3.377 -6.091 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -11.353 -3.983 -8.376 1.00 0.00 C ATOM 0 H LEU A 82 -8.903 -4.643 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.713 -5.250 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.714 -6.448 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -12.675 -6.189 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 82 -13.264 -4.449 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.454 -2.397 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.859 -3.666 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.157 -3.333 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.651 -2.993 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.313 -3.957 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.461 -4.699 -9.191 1.00 0.00 H new ATOM 1028 N LYS A 83 -9.292 -7.935 -5.916 1.00 0.00 N ATOM 1029 CA LYS A 83 -8.981 -9.314 -5.574 1.00 0.00 C ATOM 1030 C LYS A 83 -7.770 -9.384 -4.652 1.00 0.00 C ATOM 1031 O LYS A 83 -6.992 -10.335 -4.705 1.00 0.00 O ATOM 1032 CB LYS A 83 -8.708 -10.127 -6.841 1.00 0.00 C ATOM 1033 CG LYS A 83 -9.601 -9.772 -8.019 1.00 0.00 C ATOM 1034 CD LYS A 83 -10.980 -10.391 -7.885 1.00 0.00 C ATOM 1035 CE LYS A 83 -11.875 -9.550 -6.998 1.00 0.00 C ATOM 1036 NZ LYS A 83 -13.187 -10.209 -6.742 1.00 0.00 N ATOM 0 H LYS A 83 -8.641 -7.507 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.842 -9.734 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.668 -9.984 -7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.832 -11.186 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.694 -8.688 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.137 -10.115 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.433 -10.493 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.892 -11.395 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.372 -9.363 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.042 -8.580 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.768 -9.600 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.679 -10.365 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.030 -11.123 -6.271 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.617 -8.371 -3.805 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.501 -8.318 -2.875 1.00 0.00 C ATOM 1052 C ILE A 84 -6.959 -8.331 -1.410 1.00 0.00 C ATOM 1053 O ILE A 84 -6.379 -7.634 -0.578 1.00 0.00 O ATOM 1054 CB ILE A 84 -5.647 -7.057 -3.128 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -6.460 -5.792 -2.846 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.137 -7.049 -4.562 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -5.719 -4.510 -3.161 1.00 0.00 C ATOM 0 H ILE A 84 -8.254 -7.576 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.906 -9.214 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.793 -7.074 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.379 -5.823 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.751 -5.784 -1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.536 -6.155 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.526 -7.935 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.983 -7.051 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.358 -3.656 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.814 -4.455 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.451 -4.495 -4.218 1.00 0.00 H new ATOM 1069 N PRO A 85 -7.998 -9.121 -1.063 1.00 0.00 N ATOM 1070 CA PRO A 85 -8.498 -9.201 0.313 1.00 0.00 C ATOM 1071 C PRO A 85 -7.639 -10.108 1.190 1.00 0.00 C ATOM 1072 O PRO A 85 -7.943 -11.287 1.365 1.00 0.00 O ATOM 1073 CB PRO A 85 -9.888 -9.802 0.136 1.00 0.00 C ATOM 1074 CG PRO A 85 -9.754 -10.681 -1.058 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.774 -9.992 -1.973 1.00 0.00 C ATOM 0 HA PRO A 85 -8.490 -8.232 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.192 -10.369 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.640 -9.028 -0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.395 -11.671 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.716 -10.820 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.132 -10.709 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.284 -9.413 -2.743 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.563 -9.550 1.739 1.00 0.00 N ATOM 1084 CA LYS A 86 -5.658 -10.311 2.596 1.00 0.00 C ATOM 1085 C LYS A 86 -4.963 -11.427 1.816 1.00 0.00 C ATOM 1086 O LYS A 86 -4.346 -12.314 2.407 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.421 -10.907 3.781 1.00 0.00 C ATOM 1088 CG LYS A 86 -7.197 -9.878 4.585 1.00 0.00 C ATOM 1089 CD LYS A 86 -7.977 -10.525 5.717 1.00 0.00 C ATOM 1090 CE LYS A 86 -7.057 -11.229 6.699 1.00 0.00 C ATOM 1091 NZ LYS A 86 -7.813 -11.855 7.819 1.00 0.00 N ATOM 0 H LYS A 86 -6.297 -8.574 1.606 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.897 -9.624 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.113 -11.665 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.715 -11.413 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.507 -9.139 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.884 -9.344 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.556 -9.765 6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.688 -11.241 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.485 -11.995 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.339 -10.514 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.149 -12.325 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.339 -11.122 8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.480 -12.556 7.438 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.064 -11.382 0.489 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.446 -12.392 -0.359 1.00 0.00 C ATOM 1107 C ASP A 87 -3.328 -11.788 -1.203 1.00 0.00 C ATOM 1108 O ASP A 87 -2.398 -12.487 -1.608 1.00 0.00 O ATOM 1109 CB ASP A 87 -5.494 -13.038 -1.267 1.00 0.00 C ATOM 1110 CG ASP A 87 -6.581 -13.745 -0.483 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -6.359 -14.904 -0.073 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -7.655 -13.141 -0.279 1.00 0.00 O ATOM 0 H ASP A 87 -5.568 -10.656 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.015 -13.156 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.945 -12.273 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.006 -13.752 -1.930 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.423 -10.489 -1.469 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.417 -9.799 -2.267 1.00 0.00 C ATOM 1119 C TYR A 88 -1.619 -8.815 -1.422 1.00 0.00 C ATOM 1120 O TYR A 88 -2.138 -8.208 -0.475 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.074 -9.076 -3.437 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.232 -9.940 -4.668 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -4.273 -10.854 -4.770 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -2.337 -9.843 -5.726 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.417 -11.647 -5.893 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -2.475 -10.631 -6.852 1.00 0.00 C ATOM 1127 CZ TYR A 88 -3.516 -11.532 -6.931 1.00 0.00 C ATOM 1128 OH TYR A 88 -3.657 -12.320 -8.050 1.00 0.00 O ATOM 0 H TYR A 88 -4.185 -9.894 -1.144 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.726 -10.548 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.055 -8.716 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.479 -8.199 -3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.981 -10.946 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.520 -9.140 -5.667 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.231 -12.353 -5.957 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.771 -10.542 -7.666 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.941 -12.114 -8.687 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.354 -8.646 -1.786 1.00 0.00 N ATOM 1139 CA VAL A 89 0.531 -7.760 -1.056 1.00 0.00 C ATOM 1140 C VAL A 89 1.404 -6.936 -1.989 1.00 0.00 C ATOM 1141 O VAL A 89 1.934 -7.444 -2.977 1.00 0.00 O ATOM 1142 CB VAL A 89 1.433 -8.566 -0.108 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.365 -9.478 -0.894 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.223 -7.640 0.805 1.00 0.00 C ATOM 0 H VAL A 89 0.078 -9.113 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.099 -7.080 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 89 0.795 -9.192 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.994 -10.039 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.775 -10.172 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.994 -8.877 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.854 -8.233 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.848 -6.981 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.534 -7.042 1.401 1.00 0.00 H new ATOM 1154 N VAL A 90 1.546 -5.658 -1.665 1.00 0.00 N ATOM 1155 CA VAL A 90 2.372 -4.764 -2.454 1.00 0.00 C ATOM 1156 C VAL A 90 3.733 -4.611 -1.806 1.00 0.00 C ATOM 1157 O VAL A 90 3.861 -4.657 -0.579 1.00 0.00 O ATOM 1158 CB VAL A 90 1.728 -3.375 -2.622 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.518 -2.540 -3.623 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.277 -3.521 -3.046 1.00 0.00 C ATOM 0 H VAL A 90 1.098 -5.220 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 90 2.475 -5.208 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 90 1.750 -2.854 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.050 -1.562 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.541 -2.416 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.529 -3.045 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.169 -2.533 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.227 -4.055 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.270 -4.079 -2.286 1.00 0.00 H new ATOM 1170 N GLN A 91 4.748 -4.425 -2.629 1.00 0.00 N ATOM 1171 CA GLN A 91 6.094 -4.273 -2.129 1.00 0.00 C ATOM 1172 C GLN A 91 6.372 -2.807 -1.885 1.00 0.00 C ATOM 1173 O GLN A 91 5.843 -1.940 -2.578 1.00 0.00 O ATOM 1174 CB GLN A 91 7.113 -4.869 -3.098 1.00 0.00 C ATOM 1175 CG GLN A 91 8.350 -5.412 -2.404 1.00 0.00 C ATOM 1176 CD GLN A 91 9.616 -4.643 -2.746 1.00 0.00 C ATOM 1177 OE1 GLN A 91 10.702 -5.220 -2.807 1.00 0.00 O ATOM 1178 NE2 GLN A 91 9.491 -3.337 -2.956 1.00 0.00 N ATOM 0 H GLN A 91 4.662 -4.376 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 91 6.187 -4.817 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.640 -5.671 -3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.412 -4.105 -3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.195 -5.383 -1.325 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.483 -6.458 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.573 -2.896 -2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.313 -2.775 -3.177 1.00 0.00 H new ATOM 1187 N VAL A 92 7.198 -2.533 -0.901 1.00 0.00 N ATOM 1188 CA VAL A 92 7.508 -1.164 -0.543 1.00 0.00 C ATOM 1189 C VAL A 92 8.980 -1.000 -0.190 1.00 0.00 C ATOM 1190 O VAL A 92 9.571 -1.861 0.460 1.00 0.00 O ATOM 1191 CB VAL A 92 6.654 -0.733 0.661 1.00 0.00 C ATOM 1192 CG1 VAL A 92 5.345 -0.115 0.241 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.362 -1.919 1.547 1.00 0.00 C ATOM 0 H VAL A 92 7.668 -3.238 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 92 7.286 -0.537 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 92 7.232 0.016 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.778 0.173 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.538 0.767 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.771 -0.838 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.757 -1.599 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.819 -2.674 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.299 -2.342 1.909 1.00 0.00 H new ATOM 1203 N ILE A 93 9.568 0.110 -0.622 1.00 0.00 N ATOM 1204 CA ILE A 93 10.964 0.386 -0.334 1.00 0.00 C ATOM 1205 C ILE A 93 11.104 1.718 0.385 1.00 0.00 C ATOM 1206 O ILE A 93 10.672 2.762 -0.107 1.00 0.00 O ATOM 1207 CB ILE A 93 11.834 0.412 -1.600 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.371 -0.650 -2.597 1.00 0.00 C ATOM 1209 CG2 ILE A 93 13.295 0.198 -1.234 1.00 0.00 C ATOM 1210 CD1 ILE A 93 12.184 -0.674 -3.870 1.00 0.00 C ATOM 0 H ILE A 93 9.098 0.830 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 93 11.315 -0.427 0.301 1.00 0.00 H new ATOM 0 HB ILE A 93 11.730 1.389 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.423 -1.630 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.325 -0.472 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.903 0.218 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 93 13.621 0.990 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.409 -0.768 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.801 -1.451 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.112 0.294 -4.366 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.227 -0.882 -3.632 1.00 0.00 H new ATOM 1222 N VAL A 94 11.700 1.654 1.559 1.00 0.00 N ATOM 1223 CA VAL A 94 11.929 2.832 2.391 1.00 0.00 C ATOM 1224 C VAL A 94 13.406 2.959 2.751 1.00 0.00 C ATOM 1225 O VAL A 94 13.877 2.349 3.711 1.00 0.00 O ATOM 1226 CB VAL A 94 11.078 2.786 3.687 1.00 0.00 C ATOM 1227 CG1 VAL A 94 11.007 1.367 4.232 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.633 3.731 4.747 1.00 0.00 C ATOM 0 H VAL A 94 12.042 0.785 1.969 1.00 0.00 H new ATOM 0 HA VAL A 94 11.625 3.703 1.811 1.00 0.00 H new ATOM 0 HB VAL A 94 10.070 3.115 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.406 1.356 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.551 0.714 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.013 1.013 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.015 3.676 5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.655 3.442 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.627 4.751 4.364 1.00 0.00 H new ATOM 1238 N SER A 95 14.130 3.756 1.974 1.00 0.00 N ATOM 1239 CA SER A 95 15.553 3.967 2.207 1.00 0.00 C ATOM 1240 C SER A 95 15.842 5.435 2.505 1.00 0.00 C ATOM 1241 O SER A 95 16.920 5.942 2.194 1.00 0.00 O ATOM 1242 CB SER A 95 16.360 3.512 0.991 1.00 0.00 C ATOM 1243 OG SER A 95 16.216 2.120 0.774 1.00 0.00 O ATOM 0 H SER A 95 13.754 4.268 1.176 1.00 0.00 H new ATOM 0 HA SER A 95 15.848 3.375 3.073 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.029 4.057 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.413 3.753 1.139 1.00 0.00 H new ATOM 0 HG SER A 95 16.741 1.855 -0.010 1.00 0.00 H new ATOM 1249 N GLN A 96 14.869 6.113 3.106 1.00 0.00 N ATOM 1250 CA GLN A 96 15.014 7.523 3.446 1.00 0.00 C ATOM 1251 C GLN A 96 15.004 7.718 4.962 1.00 0.00 C ATOM 1252 O GLN A 96 13.970 8.042 5.547 1.00 0.00 O ATOM 1253 CB GLN A 96 13.886 8.337 2.809 1.00 0.00 C ATOM 1254 CG GLN A 96 13.780 8.163 1.301 1.00 0.00 C ATOM 1255 CD GLN A 96 14.951 8.775 0.555 1.00 0.00 C ATOM 1256 OE1 GLN A 96 14.918 9.948 0.181 1.00 0.00 O ATOM 1257 NE2 GLN A 96 15.992 7.982 0.330 1.00 0.00 N ATOM 0 H GLN A 96 13.970 5.707 3.368 1.00 0.00 H new ATOM 0 HA GLN A 96 15.971 7.872 3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 96 12.939 8.049 3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.040 9.392 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 96 13.721 7.100 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 96 12.854 8.619 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.978 7.016 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.806 8.339 -0.170 1.00 0.00 H new ATOM 1266 N PRO A 97 16.163 7.520 5.617 1.00 0.00 N ATOM 1267 CA PRO A 97 16.289 7.672 7.070 1.00 0.00 C ATOM 1268 C PRO A 97 15.729 9.000 7.571 1.00 0.00 C ATOM 1269 O PRO A 97 14.878 9.030 8.459 1.00 0.00 O ATOM 1270 CB PRO A 97 17.799 7.608 7.305 1.00 0.00 C ATOM 1271 CG PRO A 97 18.324 6.810 6.164 1.00 0.00 C ATOM 1272 CD PRO A 97 17.442 7.134 4.989 1.00 0.00 C ATOM 0 HA PRO A 97 15.726 6.908 7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 97 18.239 8.605 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 97 18.032 7.136 8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 97 19.363 7.066 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 97 18.298 5.744 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.855 7.944 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.322 6.276 4.328 1.00 0.00 H new ATOM 1280 N VAL A 98 16.216 10.096 6.998 1.00 0.00 N ATOM 1281 CA VAL A 98 15.763 11.426 7.388 1.00 0.00 C ATOM 1282 C VAL A 98 15.720 12.367 6.188 1.00 0.00 C ATOM 1283 O VAL A 98 16.098 13.535 6.286 1.00 0.00 O ATOM 1284 CB VAL A 98 16.673 12.032 8.474 1.00 0.00 C ATOM 1285 CG1 VAL A 98 16.624 11.195 9.742 1.00 0.00 C ATOM 1286 CG2 VAL A 98 18.102 12.158 7.966 1.00 0.00 C ATOM 0 H VAL A 98 16.923 10.089 6.263 1.00 0.00 H new ATOM 0 HA VAL A 98 14.756 11.313 7.791 1.00 0.00 H new ATOM 0 HB VAL A 98 16.306 13.031 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 98 17.273 11.639 10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 98 15.601 11.162 10.117 1.00 0.00 H new ATOM 0 HG13 VAL A 98 16.963 10.182 9.523 1.00 0.00 H new ATOM 0 HG21 VAL A 98 18.729 12.588 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 98 18.481 11.172 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 98 18.121 12.805 7.089 1.00 0.00 H new ATOM 1296 N GLN A 99 15.255 11.850 5.056 1.00 0.00 N ATOM 1297 CA GLN A 99 15.162 12.642 3.836 1.00 0.00 C ATOM 1298 C GLN A 99 13.876 12.326 3.078 1.00 0.00 C ATOM 1299 O GLN A 99 13.150 11.395 3.428 1.00 0.00 O ATOM 1300 CB GLN A 99 16.374 12.382 2.940 1.00 0.00 C ATOM 1301 CG GLN A 99 16.596 10.911 2.629 1.00 0.00 C ATOM 1302 CD GLN A 99 17.759 10.684 1.682 1.00 0.00 C ATOM 1303 OE1 GLN A 99 17.588 10.666 0.464 1.00 0.00 O ATOM 1304 NE2 GLN A 99 18.951 10.507 2.242 1.00 0.00 N ATOM 0 H GLN A 99 14.937 10.886 4.958 1.00 0.00 H new ATOM 0 HA GLN A 99 15.147 13.695 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.248 12.927 2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.265 12.781 3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.778 10.370 3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.689 10.495 2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.046 10.530 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.771 10.348 1.657 1.00 0.00 H new ATOM 1313 N ASN A 100 13.599 13.107 2.039 1.00 0.00 N ATOM 1314 CA ASN A 100 12.400 12.911 1.232 1.00 0.00 C ATOM 1315 C ASN A 100 12.724 12.134 -0.040 1.00 0.00 C ATOM 1316 O ASN A 100 13.078 12.776 -1.051 1.00 0.00 O ATOM 1317 CB ASN A 100 11.773 14.261 0.875 1.00 0.00 C ATOM 1318 CG ASN A 100 10.464 14.113 0.124 1.00 0.00 C ATOM 1319 OD1 ASN A 100 10.259 13.143 -0.606 1.00 0.00 O ATOM 1320 ND2 ASN A 100 9.570 15.079 0.300 1.00 0.00 N ATOM 0 H ASN A 100 14.189 13.882 1.736 1.00 0.00 H new ATOM 0 HA ASN A 100 11.687 12.332 1.819 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.602 14.831 1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.474 14.834 0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.671 15.035 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.783 15.865 0.915 1.00 0.00 H new TER 1327 ASN A 100