USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 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 41 THR OG1 : rot 180:sc= 0.032 USER MOD Set 1.2: A 43 ASN : amide:sc= -4.62! C(o=-4.6!,f=-4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.877! K(o=-0.88!,f=-1.4) USER MOD Single : A 7 GLN : amide:sc= -3.5! C(o=-3.5!,f=-2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 87:sc= 1.55 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -1.1 USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= 0.0122 (180deg=-0.487) USER MOD Single : A 20 MET CE :methyl 175:sc= 0 (180deg=-0.0261) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -127:sc= 0.00304! USER MOD Single : A 25 HIS : no HD1:sc= -12.6! C(o=-13!,f=-13!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.1!) USER MOD Single : A 52 THR OG1 : rot -160:sc= -1.33 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 41:sc= -0.747! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -172:sc= -1.36 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -5.09! K(o=-5.1!,f=-0.41) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 91 ASN : amide:sc= -12.8! C(o=-13!,f=-12!) USER MOD Single : A 92 ASN : amide:sc= -10.7! C(o=-11!,f=-22!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.567 27.378 11.404 1.00 0.00 N ATOM 2 CA MET A 1 0.882 26.119 11.648 1.00 0.00 C ATOM 3 C MET A 1 1.049 25.166 10.463 1.00 0.00 C ATOM 4 O MET A 1 1.218 25.606 9.327 1.00 0.00 O ATOM 5 CB MET A 1 -0.607 26.385 11.883 1.00 0.00 C ATOM 6 CG MET A 1 -1.100 25.665 13.140 1.00 0.00 C ATOM 7 SD MET A 1 -2.571 26.463 13.762 1.00 0.00 S ATOM 8 CE MET A 1 -3.820 25.393 13.069 1.00 0.00 C ATOM 0 H1 MET A 1 1.439 28.007 12.222 1.00 0.00 H new ATOM 0 H2 MET A 1 2.581 27.199 11.260 1.00 0.00 H new ATOM 0 H3 MET A 1 1.171 27.830 10.555 1.00 0.00 H new ATOM 0 HA MET A 1 1.321 25.653 12.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.777 27.457 11.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.181 26.050 11.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.312 24.620 12.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.321 25.673 13.903 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.808 25.750 13.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.740 25.397 11.982 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.676 24.378 13.440 1.00 0.00 H new ATOM 18 N SER A 2 0.997 23.878 10.768 1.00 0.00 N ATOM 19 CA SER A 2 1.139 22.858 9.743 1.00 0.00 C ATOM 20 C SER A 2 0.173 21.704 10.014 1.00 0.00 C ATOM 21 O SER A 2 -0.184 21.446 11.162 1.00 0.00 O ATOM 22 CB SER A 2 2.579 22.343 9.676 1.00 0.00 C ATOM 23 OG SER A 2 2.885 21.472 10.762 1.00 0.00 O ATOM 0 H SER A 2 0.858 23.517 11.712 1.00 0.00 H new ATOM 0 HA SER A 2 0.896 23.305 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.732 21.816 8.734 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.267 23.188 9.684 1.00 0.00 H new ATOM 0 HG SER A 2 3.812 21.163 10.683 1.00 0.00 H new ATOM 29 N ARG A 3 -0.221 21.038 8.938 1.00 0.00 N ATOM 30 CA ARG A 3 -1.137 19.917 9.046 1.00 0.00 C ATOM 31 C ARG A 3 -0.367 18.595 9.000 1.00 0.00 C ATOM 32 O ARG A 3 0.509 18.412 8.156 1.00 0.00 O ATOM 33 CB ARG A 3 -2.168 19.937 7.915 1.00 0.00 C ATOM 34 CG ARG A 3 -1.488 19.802 6.551 1.00 0.00 C ATOM 35 CD ARG A 3 -1.996 20.868 5.578 1.00 0.00 C ATOM 36 NE ARG A 3 -1.033 21.990 5.508 1.00 0.00 N ATOM 37 CZ ARG A 3 -1.236 23.112 4.805 1.00 0.00 C ATOM 38 NH1 ARG A 3 -2.371 23.268 4.106 1.00 0.00 N ATOM 39 NH2 ARG A 3 -0.308 24.077 4.799 1.00 0.00 N ATOM 0 H ARG A 3 0.078 21.254 7.987 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.658 20.006 10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.880 19.123 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.736 20.867 7.952 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.408 19.896 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.679 18.810 6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.133 20.433 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.970 21.234 5.903 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.160 21.903 6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.078 22.533 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.527 24.122 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.555 23.958 5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.464 24.931 4.263 1.00 0.00 H new ATOM 53 N SER A 4 -0.722 17.710 9.919 1.00 0.00 N ATOM 54 CA SER A 4 -0.075 16.410 9.995 1.00 0.00 C ATOM 55 C SER A 4 -1.079 15.305 9.661 1.00 0.00 C ATOM 56 O SER A 4 -2.278 15.559 9.566 1.00 0.00 O ATOM 57 CB SER A 4 0.530 16.176 11.381 1.00 0.00 C ATOM 58 OG SER A 4 -0.471 16.093 12.393 1.00 0.00 O ATOM 0 H SER A 4 -1.449 17.867 10.617 1.00 0.00 H new ATOM 0 HA SER A 4 0.735 16.388 9.266 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.113 15.255 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.219 16.987 11.618 1.00 0.00 H new ATOM 0 HG SER A 4 -0.045 15.942 13.263 1.00 0.00 H new ATOM 64 N ASN A 5 -0.551 14.102 9.491 1.00 0.00 N ATOM 65 CA ASN A 5 -1.385 12.957 9.168 1.00 0.00 C ATOM 66 C ASN A 5 -1.922 12.342 10.462 1.00 0.00 C ATOM 67 O ASN A 5 -1.515 12.736 11.555 1.00 0.00 O ATOM 68 CB ASN A 5 -0.586 11.883 8.430 1.00 0.00 C ATOM 69 CG ASN A 5 0.699 11.538 9.185 1.00 0.00 C ATOM 70 OD1 ASN A 5 1.776 12.024 8.883 1.00 0.00 O ATOM 71 ND2 ASN A 5 0.526 10.676 10.183 1.00 0.00 N ATOM 0 H ASN A 5 0.445 13.895 9.571 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.198 13.302 8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.196 10.987 8.314 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.340 12.233 7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.323 10.384 10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.404 10.307 10.383 1.00 0.00 H new ATOM 78 N ARG A 6 -2.825 11.387 10.297 1.00 0.00 N ATOM 79 CA ARG A 6 -3.420 10.713 11.438 1.00 0.00 C ATOM 80 C ARG A 6 -2.347 9.966 12.233 1.00 0.00 C ATOM 81 O ARG A 6 -1.163 10.039 11.905 1.00 0.00 O ATOM 82 CB ARG A 6 -4.498 9.724 10.992 1.00 0.00 C ATOM 83 CG ARG A 6 -3.885 8.565 10.203 1.00 0.00 C ATOM 84 CD ARG A 6 -4.092 8.757 8.698 1.00 0.00 C ATOM 85 NE ARG A 6 -2.814 8.543 7.981 1.00 0.00 N ATOM 86 CZ ARG A 6 -2.098 7.413 8.045 1.00 0.00 C ATOM 87 NH1 ARG A 6 -2.528 6.389 8.793 1.00 0.00 N ATOM 88 NH2 ARG A 6 -0.952 7.307 7.360 1.00 0.00 N ATOM 0 H ARG A 6 -3.159 11.064 9.389 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.880 11.473 12.070 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.025 9.337 11.864 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.236 10.238 10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.819 8.495 10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.338 7.625 10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.845 8.058 8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.467 9.761 8.499 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.457 9.303 7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.401 6.469 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.982 5.528 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.625 8.087 6.790 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.407 6.446 7.409 1.00 0.00 H new ATOM 102 N GLN A 7 -2.800 9.264 13.261 1.00 0.00 N ATOM 103 CA GLN A 7 -1.893 8.504 14.105 1.00 0.00 C ATOM 104 C GLN A 7 -2.095 7.004 13.885 1.00 0.00 C ATOM 105 O GLN A 7 -1.129 6.245 13.835 1.00 0.00 O ATOM 106 CB GLN A 7 -2.077 8.871 15.579 1.00 0.00 C ATOM 107 CG GLN A 7 -3.561 8.954 15.941 1.00 0.00 C ATOM 108 CD GLN A 7 -4.156 10.297 15.511 1.00 0.00 C ATOM 109 OE1 GLN A 7 -3.675 11.361 15.864 1.00 0.00 O ATOM 110 NE2 GLN A 7 -5.228 10.188 14.732 1.00 0.00 N ATOM 0 H GLN A 7 -3.782 9.205 13.529 1.00 0.00 H new ATOM 0 HA GLN A 7 -0.870 8.758 13.826 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.587 8.127 16.207 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -1.595 9.827 15.782 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.103 8.141 15.458 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -3.685 8.825 17.016 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.579 9.266 14.474 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.699 11.027 14.393 1.00 0.00 H new ATOM 119 N LYS A 8 -3.358 6.622 13.759 1.00 0.00 N ATOM 120 CA LYS A 8 -3.699 5.225 13.545 1.00 0.00 C ATOM 121 C LYS A 8 -4.840 5.134 12.530 1.00 0.00 C ATOM 122 O LYS A 8 -4.841 4.256 11.669 1.00 0.00 O ATOM 123 CB LYS A 8 -4.004 4.538 14.878 1.00 0.00 C ATOM 124 CG LYS A 8 -4.987 5.366 15.709 1.00 0.00 C ATOM 125 CD LYS A 8 -4.278 6.038 16.886 1.00 0.00 C ATOM 126 CE LYS A 8 -4.478 5.238 18.175 1.00 0.00 C ATOM 127 NZ LYS A 8 -3.347 5.458 19.103 1.00 0.00 N ATOM 0 H LYS A 8 -4.157 7.255 13.801 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.852 4.685 13.122 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.422 3.548 14.694 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.080 4.395 15.438 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.453 6.124 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.786 4.724 16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.213 6.128 16.671 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.663 7.049 17.018 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.411 5.535 18.653 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.563 4.177 17.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.499 4.908 19.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.462 5.152 18.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.284 6.469 19.340 1.00 0.00 H new ATOM 141 N GLU A 9 -5.785 6.052 12.665 1.00 0.00 N ATOM 142 CA GLU A 9 -6.930 6.086 11.771 1.00 0.00 C ATOM 143 C GLU A 9 -6.468 6.286 10.326 1.00 0.00 C ATOM 144 O GLU A 9 -6.506 7.401 9.809 1.00 0.00 O ATOM 145 CB GLU A 9 -7.919 7.176 12.188 1.00 0.00 C ATOM 146 CG GLU A 9 -7.222 8.535 12.300 1.00 0.00 C ATOM 147 CD GLU A 9 -8.180 9.598 12.841 1.00 0.00 C ATOM 148 OE1 GLU A 9 -8.388 9.600 14.074 1.00 0.00 O ATOM 149 OE2 GLU A 9 -8.682 10.386 12.010 1.00 0.00 O ATOM 0 H GLU A 9 -5.781 6.779 13.381 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.448 5.129 11.837 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.727 7.237 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.371 6.915 13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.357 8.451 12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.850 8.839 11.322 1.00 0.00 H new ATOM 156 N TYR A 10 -6.045 5.189 9.717 1.00 0.00 N ATOM 157 CA TYR A 10 -5.577 5.231 8.342 1.00 0.00 C ATOM 158 C TYR A 10 -6.752 5.323 7.365 1.00 0.00 C ATOM 159 O TYR A 10 -7.772 4.664 7.554 1.00 0.00 O ATOM 160 CB TYR A 10 -4.837 3.912 8.108 1.00 0.00 C ATOM 161 CG TYR A 10 -5.741 2.761 7.663 1.00 0.00 C ATOM 162 CD1 TYR A 10 -6.864 2.443 8.398 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.434 2.042 6.527 1.00 0.00 C ATOM 164 CE1 TYR A 10 -7.716 1.360 7.980 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.284 0.959 6.107 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.384 0.671 6.855 1.00 0.00 C ATOM 167 OH TYR A 10 -8.188 -0.352 6.459 1.00 0.00 O ATOM 0 H TYR A 10 -6.016 4.266 10.150 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.942 6.102 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.067 4.068 7.352 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.327 3.625 9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.104 3.007 9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.555 2.292 5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.598 1.101 8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.054 0.388 5.219 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.907 -0.002 5.893 1.00 0.00 H new ATOM 177 N LYS A 11 -6.567 6.145 6.343 1.00 0.00 N ATOM 178 CA LYS A 11 -7.599 6.331 5.337 1.00 0.00 C ATOM 179 C LYS A 11 -6.943 6.664 3.996 1.00 0.00 C ATOM 180 O LYS A 11 -5.720 6.754 3.904 1.00 0.00 O ATOM 181 CB LYS A 11 -8.615 7.376 5.801 1.00 0.00 C ATOM 182 CG LYS A 11 -8.049 8.791 5.665 1.00 0.00 C ATOM 183 CD LYS A 11 -8.618 9.495 4.430 1.00 0.00 C ATOM 184 CE LYS A 11 -10.147 9.453 4.433 1.00 0.00 C ATOM 185 NZ LYS A 11 -10.701 10.785 4.103 1.00 0.00 N ATOM 0 H LYS A 11 -5.718 6.690 6.190 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.165 5.410 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.528 7.288 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.887 7.188 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.286 9.369 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.962 8.746 5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.279 10.531 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.239 9.017 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.498 8.717 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.506 9.135 5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.740 10.740 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.380 11.479 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.373 11.074 3.159 1.00 0.00 H new ATOM 199 N CYS A 12 -7.786 6.837 2.988 1.00 0.00 N ATOM 200 CA CYS A 12 -7.302 7.158 1.655 1.00 0.00 C ATOM 201 C CYS A 12 -6.175 8.183 1.788 1.00 0.00 C ATOM 202 O CYS A 12 -6.327 9.196 2.467 1.00 0.00 O ATOM 203 CB CYS A 12 -8.429 7.662 0.752 1.00 0.00 C ATOM 204 SG CYS A 12 -8.096 7.195 -0.986 1.00 0.00 S ATOM 0 H CYS A 12 -8.800 6.761 3.067 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.917 6.257 1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.381 7.240 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.516 8.745 0.836 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.061 7.626 -1.744 1.00 0.00 H new ATOM 210 N GLY A 13 -5.065 7.884 1.125 1.00 0.00 N ATOM 211 CA GLY A 13 -3.912 8.767 1.160 1.00 0.00 C ATOM 212 C GLY A 13 -2.776 8.152 1.979 1.00 0.00 C ATOM 213 O GLY A 13 -1.637 8.613 1.912 1.00 0.00 O ATOM 0 H GLY A 13 -4.941 7.043 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.568 8.963 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.197 9.727 1.591 1.00 0.00 H new ATOM 217 N ASP A 14 -3.124 7.120 2.734 1.00 0.00 N ATOM 218 CA ASP A 14 -2.147 6.437 3.566 1.00 0.00 C ATOM 219 C ASP A 14 -1.504 5.304 2.763 1.00 0.00 C ATOM 220 O ASP A 14 -2.165 4.666 1.946 1.00 0.00 O ATOM 221 CB ASP A 14 -2.808 5.826 4.801 1.00 0.00 C ATOM 222 CG ASP A 14 -2.058 4.643 5.417 1.00 0.00 C ATOM 223 OD1 ASP A 14 -0.890 4.854 5.809 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.670 3.555 5.482 1.00 0.00 O ATOM 0 H ASP A 14 -4.069 6.740 2.787 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.401 7.167 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.916 6.602 5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.813 5.500 4.533 1.00 0.00 H new ATOM 229 N LEU A 15 -0.223 5.089 3.025 1.00 0.00 N ATOM 230 CA LEU A 15 0.515 4.044 2.337 1.00 0.00 C ATOM 231 C LEU A 15 1.007 3.016 3.359 1.00 0.00 C ATOM 232 O LEU A 15 1.432 3.379 4.455 1.00 0.00 O ATOM 233 CB LEU A 15 1.634 4.649 1.487 1.00 0.00 C ATOM 234 CG LEU A 15 2.691 3.670 0.974 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.738 3.377 2.050 1.00 0.00 C ATOM 236 CD2 LEU A 15 2.041 2.390 0.444 1.00 0.00 C ATOM 0 H LEU A 15 0.322 5.620 3.704 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.134 3.516 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.182 5.147 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.135 5.418 2.075 1.00 0.00 H new ATOM 0 HG LEU A 15 3.212 4.138 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.477 2.678 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.233 4.304 2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.251 2.939 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.814 1.711 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.479 1.909 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.366 2.637 -0.376 1.00 0.00 H new ATOM 248 N VAL A 16 0.932 1.753 2.964 1.00 0.00 N ATOM 249 CA VAL A 16 1.364 0.671 3.833 1.00 0.00 C ATOM 250 C VAL A 16 1.752 -0.538 2.979 1.00 0.00 C ATOM 251 O VAL A 16 1.648 -0.495 1.753 1.00 0.00 O ATOM 252 CB VAL A 16 0.272 0.355 4.857 1.00 0.00 C ATOM 253 CG1 VAL A 16 -0.421 -0.969 4.526 1.00 0.00 C ATOM 254 CG2 VAL A 16 0.841 0.335 6.276 1.00 0.00 C ATOM 0 H VAL A 16 0.579 1.455 2.055 1.00 0.00 H new ATOM 0 HA VAL A 16 2.247 0.965 4.400 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.475 1.147 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.193 -1.171 5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.876 -0.904 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.312 -1.776 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.044 0.108 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.617 -0.427 6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.268 1.310 6.511 1.00 0.00 H new ATOM 264 N PHE A 17 2.190 -1.587 3.659 1.00 0.00 N ATOM 265 CA PHE A 17 2.593 -2.804 2.978 1.00 0.00 C ATOM 266 C PHE A 17 1.419 -3.778 2.853 1.00 0.00 C ATOM 267 O PHE A 17 0.907 -4.272 3.857 1.00 0.00 O ATOM 268 CB PHE A 17 3.687 -3.452 3.830 1.00 0.00 C ATOM 269 CG PHE A 17 5.009 -2.681 3.836 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.680 -2.472 2.671 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.512 -2.203 5.005 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.906 -1.755 2.677 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.738 -1.487 5.012 1.00 0.00 C ATOM 274 CZ PHE A 17 7.410 -1.278 3.847 1.00 0.00 C ATOM 0 H PHE A 17 2.274 -1.619 4.675 1.00 0.00 H new ATOM 0 HA PHE A 17 2.944 -2.568 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.328 -3.545 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.869 -4.462 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.281 -2.851 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.978 -2.368 5.929 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.438 -1.588 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.137 -1.108 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.343 -0.734 3.851 1.00 0.00 H new ATOM 284 N ALA A 18 1.026 -4.024 1.611 1.00 0.00 N ATOM 285 CA ALA A 18 -0.079 -4.929 1.342 1.00 0.00 C ATOM 286 C ALA A 18 0.468 -6.235 0.762 1.00 0.00 C ATOM 287 O ALA A 18 1.236 -6.218 -0.199 1.00 0.00 O ATOM 288 CB ALA A 18 -1.079 -4.249 0.406 1.00 0.00 C ATOM 0 H ALA A 18 1.453 -3.613 0.781 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.609 -5.173 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.908 -4.928 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.459 -3.342 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.584 -3.992 -0.531 1.00 0.00 H new ATOM 294 N LYS A 19 0.051 -7.336 1.370 1.00 0.00 N ATOM 295 CA LYS A 19 0.489 -8.648 0.926 1.00 0.00 C ATOM 296 C LYS A 19 -0.724 -9.456 0.462 1.00 0.00 C ATOM 297 O LYS A 19 -1.804 -9.350 1.043 1.00 0.00 O ATOM 298 CB LYS A 19 1.306 -9.338 2.019 1.00 0.00 C ATOM 299 CG LYS A 19 0.392 -9.973 3.069 1.00 0.00 C ATOM 300 CD LYS A 19 -0.270 -8.900 3.937 1.00 0.00 C ATOM 301 CE LYS A 19 -0.231 -9.292 5.416 1.00 0.00 C ATOM 302 NZ LYS A 19 -1.193 -10.383 5.689 1.00 0.00 N ATOM 0 H LYS A 19 -0.586 -7.346 2.167 1.00 0.00 H new ATOM 0 HA LYS A 19 1.158 -8.557 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.942 -10.104 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.966 -8.614 2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.374 -10.571 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.970 -10.650 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.240 -7.947 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.304 -8.758 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.776 -9.610 5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.469 -8.426 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.007 -10.005 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.520 -10.790 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.729 -11.122 6.255 1.00 0.00 H new ATOM 316 N MET A 20 -0.507 -10.245 -0.581 1.00 0.00 N ATOM 317 CA MET A 20 -1.570 -11.071 -1.129 1.00 0.00 C ATOM 318 C MET A 20 -1.120 -12.527 -1.261 1.00 0.00 C ATOM 319 O MET A 20 0.077 -12.812 -1.279 1.00 0.00 O ATOM 320 CB MET A 20 -1.976 -10.534 -2.503 1.00 0.00 C ATOM 321 CG MET A 20 -3.454 -10.814 -2.785 1.00 0.00 C ATOM 322 SD MET A 20 -4.293 -9.297 -3.209 1.00 0.00 S ATOM 323 CE MET A 20 -5.944 -9.919 -3.476 1.00 0.00 C ATOM 0 H MET A 20 0.389 -10.330 -1.061 1.00 0.00 H new ATOM 0 HA MET A 20 -2.421 -11.035 -0.449 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.790 -9.461 -2.548 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.361 -10.996 -3.275 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.548 -11.531 -3.601 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.921 -11.265 -1.909 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.621 -9.086 -3.664 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.946 -10.589 -4.336 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.275 -10.463 -2.592 1.00 0.00 H new ATOM 333 N LYS A 21 -2.103 -13.410 -1.352 1.00 0.00 N ATOM 334 CA LYS A 21 -1.823 -14.831 -1.483 1.00 0.00 C ATOM 335 C LYS A 21 -0.942 -15.060 -2.711 1.00 0.00 C ATOM 336 O LYS A 21 -1.336 -14.745 -3.831 1.00 0.00 O ATOM 337 CB LYS A 21 -3.125 -15.633 -1.500 1.00 0.00 C ATOM 338 CG LYS A 21 -3.736 -15.718 -0.101 1.00 0.00 C ATOM 339 CD LYS A 21 -3.078 -16.830 0.718 1.00 0.00 C ATOM 340 CE LYS A 21 -4.034 -17.365 1.786 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.275 -17.944 2.918 1.00 0.00 N ATOM 0 H LYS A 21 -3.094 -13.170 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.265 -15.192 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.835 -15.166 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.933 -16.637 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.615 -14.764 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.807 -15.904 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.775 -17.642 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.173 -16.450 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.676 -16.560 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.686 -18.123 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.939 -18.302 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.681 -18.726 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.671 -17.211 3.342 1.00 0.00 H new ATOM 355 N GLY A 22 0.238 -15.610 -2.459 1.00 0.00 N ATOM 356 CA GLY A 22 1.179 -15.888 -3.531 1.00 0.00 C ATOM 357 C GLY A 22 2.125 -14.704 -3.748 1.00 0.00 C ATOM 358 O GLY A 22 3.197 -14.862 -4.330 1.00 0.00 O ATOM 0 H GLY A 22 0.563 -15.870 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.756 -16.781 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.635 -16.098 -4.452 1.00 0.00 H new ATOM 362 N TYR A 23 1.693 -13.547 -3.270 1.00 0.00 N ATOM 363 CA TYR A 23 2.489 -12.339 -3.404 1.00 0.00 C ATOM 364 C TYR A 23 2.982 -11.851 -2.041 1.00 0.00 C ATOM 365 O TYR A 23 2.205 -11.762 -1.091 1.00 0.00 O ATOM 366 CB TYR A 23 1.556 -11.285 -4.004 1.00 0.00 C ATOM 367 CG TYR A 23 2.278 -10.202 -4.810 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.936 -10.534 -5.976 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.269 -8.893 -4.370 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.614 -9.515 -6.735 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.947 -7.875 -5.129 1.00 0.00 C ATOM 372 CZ TYR A 23 3.586 -8.236 -6.274 1.00 0.00 C ATOM 373 OH TYR A 23 4.226 -7.274 -6.991 1.00 0.00 O ATOM 0 H TYR A 23 0.802 -13.420 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 23 3.366 -12.524 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.831 -11.781 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.994 -10.811 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.943 -11.558 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.754 -8.633 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.133 -9.761 -7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.948 -6.847 -4.797 1.00 0.00 H new ATOM 0 HH TYR A 23 4.843 -6.787 -6.406 1.00 0.00 H new ATOM 383 N PRO A 24 4.305 -11.539 -1.983 1.00 0.00 N ATOM 384 CA PRO A 24 4.909 -11.064 -0.752 1.00 0.00 C ATOM 385 C PRO A 24 4.519 -9.609 -0.475 1.00 0.00 C ATOM 386 O PRO A 24 4.162 -8.874 -1.396 1.00 0.00 O ATOM 387 CB PRO A 24 6.404 -11.250 -0.949 1.00 0.00 C ATOM 388 CG PRO A 24 6.613 -11.387 -2.449 1.00 0.00 C ATOM 389 CD PRO A 24 5.256 -11.632 -3.088 1.00 0.00 C ATOM 0 HA PRO A 24 4.565 -11.614 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.959 -10.399 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.760 -12.135 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.069 -10.484 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.292 -12.212 -2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.042 -10.892 -3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.214 -12.611 -3.566 1.00 0.00 H new ATOM 397 N HIS A 25 4.601 -9.239 0.793 1.00 0.00 N ATOM 398 CA HIS A 25 4.262 -7.887 1.202 1.00 0.00 C ATOM 399 C HIS A 25 4.849 -6.887 0.204 1.00 0.00 C ATOM 400 O HIS A 25 6.065 -6.725 0.124 1.00 0.00 O ATOM 401 CB HIS A 25 4.714 -7.624 2.640 1.00 0.00 C ATOM 402 CG HIS A 25 3.588 -7.279 3.584 1.00 0.00 C ATOM 403 ND1 HIS A 25 3.534 -7.743 4.887 1.00 0.00 N ATOM 404 CD2 HIS A 25 2.476 -6.511 3.403 1.00 0.00 C ATOM 405 CE1 HIS A 25 2.433 -7.271 5.454 1.00 0.00 C ATOM 406 NE2 HIS A 25 1.779 -6.507 4.532 1.00 0.00 N ATOM 0 H HIS A 25 4.898 -9.852 1.552 1.00 0.00 H new ATOM 0 HA HIS A 25 3.179 -7.762 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.231 -8.507 3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.437 -6.808 2.639 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.208 -5.993 2.494 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.110 -7.458 6.468 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.899 -6.014 4.685 1.00 0.00 H new ATOM 414 N TRP A 26 3.955 -6.240 -0.532 1.00 0.00 N ATOM 415 CA TRP A 26 4.369 -5.262 -1.522 1.00 0.00 C ATOM 416 C TRP A 26 3.842 -3.894 -1.084 1.00 0.00 C ATOM 417 O TRP A 26 2.889 -3.811 -0.310 1.00 0.00 O ATOM 418 CB TRP A 26 3.898 -5.663 -2.922 1.00 0.00 C ATOM 419 CG TRP A 26 5.032 -5.853 -3.930 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.178 -5.269 -5.127 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.180 -6.716 -3.779 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.332 -5.690 -5.756 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.961 -6.597 -4.911 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.547 -7.565 -2.723 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.157 -7.300 -5.094 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.745 -8.263 -2.920 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.542 -8.153 -4.054 1.00 0.00 C ATOM 0 H TRP A 26 2.946 -6.375 -0.461 1.00 0.00 H new ATOM 0 HA TRP A 26 5.456 -5.214 -1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.330 -6.590 -2.851 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.216 -4.900 -3.297 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.481 -4.559 -5.546 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.663 -5.390 -6.673 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.952 -7.672 -1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.751 -7.190 -5.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.072 -8.932 -2.138 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.455 -8.724 -4.132 1.00 0.00 H new ATOM 438 N PRO A 27 4.503 -2.828 -1.608 1.00 0.00 N ATOM 439 CA PRO A 27 4.111 -1.468 -1.278 1.00 0.00 C ATOM 440 C PRO A 27 2.826 -1.075 -2.009 1.00 0.00 C ATOM 441 O PRO A 27 2.851 -0.780 -3.204 1.00 0.00 O ATOM 442 CB PRO A 27 5.303 -0.609 -1.670 1.00 0.00 C ATOM 443 CG PRO A 27 6.129 -1.453 -2.627 1.00 0.00 C ATOM 444 CD PRO A 27 5.636 -2.888 -2.527 1.00 0.00 C ATOM 0 HA PRO A 27 3.876 -1.343 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.978 0.316 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.887 -0.328 -0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.026 -1.084 -3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.187 -1.394 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.335 -3.272 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.416 -3.549 -2.151 1.00 0.00 H new ATOM 452 N ALA A 28 1.732 -1.085 -1.263 1.00 0.00 N ATOM 453 CA ALA A 28 0.438 -0.734 -1.825 1.00 0.00 C ATOM 454 C ALA A 28 -0.159 0.430 -1.030 1.00 0.00 C ATOM 455 O ALA A 28 0.065 0.545 0.173 1.00 0.00 O ATOM 456 CB ALA A 28 -0.469 -1.966 -1.826 1.00 0.00 C ATOM 0 H ALA A 28 1.714 -1.331 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 28 0.544 -0.407 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.439 -1.703 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.013 -2.753 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.601 -2.321 -0.804 1.00 0.00 H new ATOM 462 N ARG A 29 -0.907 1.265 -1.737 1.00 0.00 N ATOM 463 CA ARG A 29 -1.538 2.415 -1.114 1.00 0.00 C ATOM 464 C ARG A 29 -2.968 2.073 -0.690 1.00 0.00 C ATOM 465 O ARG A 29 -3.554 1.114 -1.191 1.00 0.00 O ATOM 466 CB ARG A 29 -1.569 3.611 -2.068 1.00 0.00 C ATOM 467 CG ARG A 29 -1.215 4.907 -1.335 1.00 0.00 C ATOM 468 CD ARG A 29 -1.790 6.123 -2.064 1.00 0.00 C ATOM 469 NE ARG A 29 -0.981 7.325 -1.758 1.00 0.00 N ATOM 470 CZ ARG A 29 -1.145 8.513 -2.355 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.091 8.667 -3.292 1.00 0.00 N ATOM 472 NH2 ARG A 29 -0.366 9.547 -2.015 1.00 0.00 N ATOM 0 H ARG A 29 -1.090 1.167 -2.736 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.949 2.680 -0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.866 3.447 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.560 3.700 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.604 4.871 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.132 5.002 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.797 5.943 -3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.825 6.284 -1.761 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.253 7.243 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.686 7.880 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.216 9.571 -3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.353 9.431 -1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.491 10.451 -2.470 1.00 0.00 H new ATOM 486 N ILE A 30 -3.487 2.873 0.227 1.00 0.00 N ATOM 487 CA ILE A 30 -4.838 2.667 0.724 1.00 0.00 C ATOM 488 C ILE A 30 -5.822 3.452 -0.146 1.00 0.00 C ATOM 489 O ILE A 30 -5.510 4.547 -0.609 1.00 0.00 O ATOM 490 CB ILE A 30 -4.920 3.014 2.212 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.624 1.903 2.996 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.586 4.375 2.422 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.100 1.809 2.607 1.00 0.00 C ATOM 0 H ILE A 30 -2.997 3.666 0.640 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.115 1.615 0.650 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.905 3.090 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.132 0.949 2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.538 2.096 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.632 4.597 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.006 5.146 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.596 4.353 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.577 1.012 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.594 2.756 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.182 1.591 1.542 1.00 0.00 H new ATOM 505 N ASP A 31 -6.990 2.859 -0.341 1.00 0.00 N ATOM 506 CA ASP A 31 -8.022 3.488 -1.148 1.00 0.00 C ATOM 507 C ASP A 31 -9.390 2.942 -0.734 1.00 0.00 C ATOM 508 O ASP A 31 -9.502 1.795 -0.306 1.00 0.00 O ATOM 509 CB ASP A 31 -7.823 3.185 -2.634 1.00 0.00 C ATOM 510 CG ASP A 31 -6.542 3.756 -3.243 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.464 3.216 -2.910 1.00 0.00 O ATOM 512 OD2 ASP A 31 -6.667 4.720 -4.029 1.00 0.00 O ATOM 0 H ASP A 31 -7.245 1.950 0.045 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.963 4.565 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.823 2.104 -2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.677 3.577 -3.187 1.00 0.00 H new ATOM 517 N GLU A 32 -10.398 3.791 -0.876 1.00 0.00 N ATOM 518 CA GLU A 32 -11.755 3.408 -0.521 1.00 0.00 C ATOM 519 C GLU A 32 -12.584 3.166 -1.785 1.00 0.00 C ATOM 520 O GLU A 32 -12.298 3.732 -2.838 1.00 0.00 O ATOM 521 CB GLU A 32 -12.407 4.467 0.369 1.00 0.00 C ATOM 522 CG GLU A 32 -12.117 4.195 1.846 1.00 0.00 C ATOM 523 CD GLU A 32 -12.255 5.473 2.677 1.00 0.00 C ATOM 524 OE1 GLU A 32 -13.408 5.934 2.822 1.00 0.00 O ATOM 525 OE2 GLU A 32 -11.204 5.960 3.147 1.00 0.00 O ATOM 0 H GLU A 32 -10.302 4.742 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.715 2.479 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.035 5.455 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.484 4.475 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.804 3.437 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.109 3.794 1.954 1.00 0.00 H new ATOM 532 N MET A 33 -13.598 2.325 -1.635 1.00 0.00 N ATOM 533 CA MET A 33 -14.471 2.000 -2.749 1.00 0.00 C ATOM 534 C MET A 33 -15.410 3.166 -3.067 1.00 0.00 C ATOM 535 O MET A 33 -16.239 3.542 -2.241 1.00 0.00 O ATOM 536 CB MET A 33 -15.295 0.759 -2.409 1.00 0.00 C ATOM 537 CG MET A 33 -16.026 0.936 -1.076 1.00 0.00 C ATOM 538 SD MET A 33 -15.411 -0.239 0.118 1.00 0.00 S ATOM 539 CE MET A 33 -15.807 0.620 1.631 1.00 0.00 C ATOM 0 H MET A 33 -13.834 1.859 -0.759 1.00 0.00 H new ATOM 0 HA MET A 33 -13.853 1.806 -3.625 1.00 0.00 H new ATOM 0 HB2 MET A 33 -16.018 0.569 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.642 -0.113 -2.357 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.884 1.951 -0.706 1.00 0.00 H new ATOM 0 HG3 MET A 33 -17.098 0.796 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.488 0.021 2.484 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.292 1.581 1.649 1.00 0.00 H new ATOM 0 HE3 MET A 33 -16.883 0.784 1.685 1.00 0.00 H new ATOM 549 N PRO A 34 -15.245 3.718 -4.299 1.00 0.00 N ATOM 550 CA PRO A 34 -16.068 4.834 -4.736 1.00 0.00 C ATOM 551 C PRO A 34 -17.478 4.364 -5.098 1.00 0.00 C ATOM 552 O PRO A 34 -17.690 3.186 -5.381 1.00 0.00 O ATOM 553 CB PRO A 34 -15.321 5.435 -5.914 1.00 0.00 C ATOM 554 CG PRO A 34 -14.352 4.365 -6.386 1.00 0.00 C ATOM 555 CD PRO A 34 -14.272 3.299 -5.304 1.00 0.00 C ATOM 0 HA PRO A 34 -16.217 5.579 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.010 5.716 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.790 6.340 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.692 3.930 -7.326 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.368 4.796 -6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.512 2.313 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.269 3.237 -4.882 1.00 0.00 H new ATOM 563 N GLU A 35 -18.406 5.310 -5.077 1.00 0.00 N ATOM 564 CA GLU A 35 -19.790 5.009 -5.401 1.00 0.00 C ATOM 565 C GLU A 35 -20.355 6.064 -6.354 1.00 0.00 C ATOM 566 O GLU A 35 -21.489 6.510 -6.191 1.00 0.00 O ATOM 567 CB GLU A 35 -20.639 4.906 -4.132 1.00 0.00 C ATOM 568 CG GLU A 35 -20.642 6.230 -3.366 1.00 0.00 C ATOM 569 CD GLU A 35 -20.998 6.010 -1.894 1.00 0.00 C ATOM 570 OE1 GLU A 35 -20.076 5.636 -1.136 1.00 0.00 O ATOM 571 OE2 GLU A 35 -22.184 6.221 -1.558 1.00 0.00 O ATOM 0 H GLU A 35 -18.226 6.286 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.823 4.041 -5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.661 4.631 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.250 4.113 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.661 6.700 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.359 6.915 -3.819 1.00 0.00 H new ATOM 578 N ALA A 36 -19.536 6.432 -7.330 1.00 0.00 N ATOM 579 CA ALA A 36 -19.940 7.427 -8.309 1.00 0.00 C ATOM 580 C ALA A 36 -20.373 6.721 -9.596 1.00 0.00 C ATOM 581 O ALA A 36 -21.556 6.701 -9.929 1.00 0.00 O ATOM 582 CB ALA A 36 -18.792 8.410 -8.541 1.00 0.00 C ATOM 0 H ALA A 36 -18.596 6.059 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.792 8.002 -7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -19.095 9.156 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.542 8.905 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.920 7.870 -8.911 1.00 0.00 H new ATOM 588 N ALA A 37 -19.389 6.161 -10.285 1.00 0.00 N ATOM 589 CA ALA A 37 -19.654 5.457 -11.528 1.00 0.00 C ATOM 590 C ALA A 37 -20.697 4.367 -11.281 1.00 0.00 C ATOM 591 O ALA A 37 -21.583 4.151 -12.106 1.00 0.00 O ATOM 592 CB ALA A 37 -18.343 4.894 -12.084 1.00 0.00 C ATOM 0 H ALA A 37 -18.408 6.181 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 37 -20.061 6.138 -12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.541 4.366 -13.017 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.646 5.711 -12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.908 4.204 -11.361 1.00 0.00 H new ATOM 598 N VAL A 38 -20.559 3.707 -10.139 1.00 0.00 N ATOM 599 CA VAL A 38 -21.479 2.645 -9.772 1.00 0.00 C ATOM 600 C VAL A 38 -21.727 2.689 -8.263 1.00 0.00 C ATOM 601 O VAL A 38 -21.126 3.497 -7.555 1.00 0.00 O ATOM 602 CB VAL A 38 -20.937 1.295 -10.250 1.00 0.00 C ATOM 603 CG1 VAL A 38 -20.809 1.265 -11.774 1.00 0.00 C ATOM 604 CG2 VAL A 38 -19.600 0.974 -9.580 1.00 0.00 C ATOM 0 H VAL A 38 -19.823 3.888 -9.456 1.00 0.00 H new ATOM 0 HA VAL A 38 -22.442 2.787 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.651 0.524 -9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -20.422 0.295 -12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -21.788 1.428 -12.225 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -20.126 2.050 -12.097 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -19.237 0.010 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -18.874 1.749 -9.826 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -19.735 0.934 -8.499 1.00 0.00 H new ATOM 614 N LYS A 39 -22.611 1.811 -7.815 1.00 0.00 N ATOM 615 CA LYS A 39 -22.947 1.740 -6.403 1.00 0.00 C ATOM 616 C LYS A 39 -22.323 0.481 -5.799 1.00 0.00 C ATOM 617 O LYS A 39 -22.415 -0.601 -6.375 1.00 0.00 O ATOM 618 CB LYS A 39 -24.461 1.831 -6.206 1.00 0.00 C ATOM 619 CG LYS A 39 -25.003 3.167 -6.720 1.00 0.00 C ATOM 620 CD LYS A 39 -26.222 2.956 -7.619 1.00 0.00 C ATOM 621 CE LYS A 39 -25.944 3.440 -9.044 1.00 0.00 C ATOM 622 NZ LYS A 39 -26.917 2.849 -9.989 1.00 0.00 N ATOM 0 H LYS A 39 -23.106 1.142 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 39 -22.529 2.593 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.949 1.010 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -24.701 1.720 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -25.275 3.802 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -24.224 3.690 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -26.487 1.899 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -27.078 3.493 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -26.004 4.528 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -24.931 3.166 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -26.715 3.187 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -26.840 1.812 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -27.880 3.132 -9.718 1.00 0.00 H new ATOM 636 N SER A 40 -21.701 0.666 -4.643 1.00 0.00 N ATOM 637 CA SER A 40 -21.061 -0.443 -3.954 1.00 0.00 C ATOM 638 C SER A 40 -21.461 -0.442 -2.477 1.00 0.00 C ATOM 639 O SER A 40 -22.083 0.507 -2.000 1.00 0.00 O ATOM 640 CB SER A 40 -19.539 -0.373 -4.090 1.00 0.00 C ATOM 641 OG SER A 40 -19.025 -1.429 -4.897 1.00 0.00 O ATOM 0 H SER A 40 -21.627 1.565 -4.167 1.00 0.00 H new ATOM 0 HA SER A 40 -21.398 -1.371 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.258 0.586 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.084 -0.419 -3.100 1.00 0.00 H new ATOM 0 HG SER A 40 -18.050 -1.348 -4.960 1.00 0.00 H new ATOM 647 N THR A 41 -21.087 -1.514 -1.794 1.00 0.00 N ATOM 648 CA THR A 41 -21.399 -1.648 -0.381 1.00 0.00 C ATOM 649 C THR A 41 -20.123 -1.559 0.459 1.00 0.00 C ATOM 650 O THR A 41 -19.019 -1.555 -0.084 1.00 0.00 O ATOM 651 CB THR A 41 -22.163 -2.959 -0.188 1.00 0.00 C ATOM 652 OG1 THR A 41 -21.526 -3.867 -1.083 1.00 0.00 O ATOM 653 CG2 THR A 41 -23.602 -2.880 -0.700 1.00 0.00 C ATOM 0 H THR A 41 -20.571 -2.298 -2.193 1.00 0.00 H new ATOM 0 HA THR A 41 -22.034 -0.831 -0.037 1.00 0.00 H new ATOM 0 HB THR A 41 -22.168 -3.223 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 41 -21.958 -4.744 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 41 -24.099 -3.837 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 41 -24.137 -2.098 -0.162 1.00 0.00 H new ATOM 0 HG23 THR A 41 -23.597 -2.649 -1.765 1.00 0.00 H new ATOM 661 N ALA A 42 -20.317 -1.488 1.766 1.00 0.00 N ATOM 662 CA ALA A 42 -19.195 -1.399 2.685 1.00 0.00 C ATOM 663 C ALA A 42 -18.982 -2.757 3.358 1.00 0.00 C ATOM 664 O ALA A 42 -19.888 -3.282 4.004 1.00 0.00 O ATOM 665 CB ALA A 42 -19.452 -0.281 3.698 1.00 0.00 C ATOM 0 H ALA A 42 -21.234 -1.490 2.212 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.279 -1.150 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.610 -0.214 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.567 0.667 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.362 -0.498 4.257 1.00 0.00 H new ATOM 671 N ASN A 43 -17.780 -3.287 3.182 1.00 0.00 N ATOM 672 CA ASN A 43 -17.438 -4.572 3.763 1.00 0.00 C ATOM 673 C ASN A 43 -15.917 -4.742 3.758 1.00 0.00 C ATOM 674 O ASN A 43 -15.334 -5.188 4.744 1.00 0.00 O ATOM 675 CB ASN A 43 -18.044 -5.722 2.956 1.00 0.00 C ATOM 676 CG ASN A 43 -19.506 -5.437 2.608 1.00 0.00 C ATOM 677 OD1 ASN A 43 -20.424 -5.790 3.331 1.00 0.00 O ATOM 678 ND2 ASN A 43 -19.672 -4.778 1.464 1.00 0.00 N ATOM 0 H ASN A 43 -17.032 -2.849 2.645 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.833 -4.597 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.471 -5.870 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.976 -6.647 3.528 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.611 -4.539 1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -18.860 -4.512 0.906 1.00 0.00 H new ATOM 685 N LYS A 44 -15.317 -4.372 2.636 1.00 0.00 N ATOM 686 CA LYS A 44 -13.876 -4.477 2.488 1.00 0.00 C ATOM 687 C LYS A 44 -13.308 -3.114 2.085 1.00 0.00 C ATOM 688 O LYS A 44 -14.057 -2.156 1.903 1.00 0.00 O ATOM 689 CB LYS A 44 -13.517 -5.604 1.517 1.00 0.00 C ATOM 690 CG LYS A 44 -14.100 -5.336 0.128 1.00 0.00 C ATOM 691 CD LYS A 44 -13.119 -4.541 -0.734 1.00 0.00 C ATOM 692 CE LYS A 44 -13.818 -3.963 -1.968 1.00 0.00 C ATOM 693 NZ LYS A 44 -12.906 -3.058 -2.702 1.00 0.00 N ATOM 0 H LYS A 44 -15.803 -3.999 1.821 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.415 -4.747 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.433 -5.699 1.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.896 -6.552 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.335 -6.282 -0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.036 -4.785 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.684 -3.733 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.297 -5.186 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.142 -4.772 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.713 -3.420 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.395 -2.674 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.618 -2.276 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.064 -3.586 -3.007 1.00 0.00 H new ATOM 707 N TYR A 45 -11.990 -3.073 1.959 1.00 0.00 N ATOM 708 CA TYR A 45 -11.313 -1.843 1.580 1.00 0.00 C ATOM 709 C TYR A 45 -10.540 -2.022 0.273 1.00 0.00 C ATOM 710 O TYR A 45 -10.113 -3.129 -0.053 1.00 0.00 O ATOM 711 CB TYR A 45 -10.324 -1.542 2.709 1.00 0.00 C ATOM 712 CG TYR A 45 -10.583 -0.215 3.424 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.872 0.255 3.562 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.525 0.511 3.934 1.00 0.00 C ATOM 715 CE1 TYR A 45 -12.115 1.504 4.237 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.768 1.759 4.609 1.00 0.00 C ATOM 717 CZ TYR A 45 -11.050 2.194 4.728 1.00 0.00 C ATOM 718 OH TYR A 45 -11.280 3.374 5.366 1.00 0.00 O ATOM 0 H TYR A 45 -11.373 -3.870 2.112 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.033 -1.039 1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.364 -2.350 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.314 -1.532 2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.699 -0.313 3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.515 0.143 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.119 1.884 4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.949 2.337 5.012 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.428 3.756 5.665 1.00 0.00 H new ATOM 728 N GLN A 46 -10.381 -0.917 -0.441 1.00 0.00 N ATOM 729 CA GLN A 46 -9.666 -0.939 -1.704 1.00 0.00 C ATOM 730 C GLN A 46 -8.174 -0.684 -1.475 1.00 0.00 C ATOM 731 O GLN A 46 -7.804 0.159 -0.660 1.00 0.00 O ATOM 732 CB GLN A 46 -10.252 0.080 -2.684 1.00 0.00 C ATOM 733 CG GLN A 46 -9.462 0.099 -3.994 1.00 0.00 C ATOM 734 CD GLN A 46 -10.200 0.901 -5.069 1.00 0.00 C ATOM 735 OE1 GLN A 46 -10.514 0.409 -6.140 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.458 2.159 -4.724 1.00 0.00 N ATOM 0 H GLN A 46 -10.736 -0.001 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.782 -1.928 -2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.295 -0.164 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.239 1.072 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.477 0.534 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.303 -0.922 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.167 2.507 -3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.947 2.776 -5.373 1.00 0.00 H new ATOM 745 N VAL A 47 -7.361 -1.428 -2.209 1.00 0.00 N ATOM 746 CA VAL A 47 -5.919 -1.293 -2.096 1.00 0.00 C ATOM 747 C VAL A 47 -5.309 -1.177 -3.496 1.00 0.00 C ATOM 748 O VAL A 47 -5.707 -1.896 -4.410 1.00 0.00 O ATOM 749 CB VAL A 47 -5.345 -2.461 -1.292 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.979 -2.884 -1.834 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.260 -2.112 0.195 1.00 0.00 C ATOM 0 H VAL A 47 -7.673 -2.126 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.664 -0.383 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.024 -3.307 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.595 -3.716 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.080 -3.194 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.287 -2.044 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.849 -2.959 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.614 -1.244 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.257 -1.884 0.573 1.00 0.00 H new ATOM 761 N PHE A 48 -4.356 -0.265 -3.616 1.00 0.00 N ATOM 762 CA PHE A 48 -3.690 -0.045 -4.889 1.00 0.00 C ATOM 763 C PHE A 48 -2.216 -0.451 -4.813 1.00 0.00 C ATOM 764 O PHE A 48 -1.417 0.216 -4.158 1.00 0.00 O ATOM 765 CB PHE A 48 -3.778 1.454 -5.187 1.00 0.00 C ATOM 766 CG PHE A 48 -4.201 1.778 -6.622 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.931 0.903 -7.624 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.847 2.943 -6.891 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.324 1.204 -8.955 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.240 3.247 -8.222 1.00 0.00 C ATOM 771 CZ PHE A 48 -4.969 2.369 -9.226 1.00 0.00 C ATOM 0 H PHE A 48 -4.029 0.329 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.166 -0.643 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.488 1.910 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.807 1.911 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.417 -0.022 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.062 3.638 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.110 0.507 -9.752 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.753 4.173 -8.437 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.267 2.598 -10.239 1.00 0.00 H new ATOM 781 N PHE A 49 -1.900 -1.543 -5.494 1.00 0.00 N ATOM 782 CA PHE A 49 -0.538 -2.046 -5.512 1.00 0.00 C ATOM 783 C PHE A 49 0.329 -1.245 -6.486 1.00 0.00 C ATOM 784 O PHE A 49 0.070 -1.234 -7.688 1.00 0.00 O ATOM 785 CB PHE A 49 -0.603 -3.500 -5.984 1.00 0.00 C ATOM 786 CG PHE A 49 -0.889 -4.504 -4.867 1.00 0.00 C ATOM 787 CD1 PHE A 49 -2.098 -4.504 -4.243 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.067 -5.400 -4.497 1.00 0.00 C ATOM 789 CE1 PHE A 49 -2.361 -5.436 -3.205 1.00 0.00 C ATOM 790 CE2 PHE A 49 -0.197 -6.332 -3.458 1.00 0.00 C ATOM 791 CZ PHE A 49 -1.406 -6.331 -2.834 1.00 0.00 C ATOM 0 H PHE A 49 -2.565 -2.093 -6.038 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.097 -1.960 -4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.377 -3.590 -6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.343 -3.760 -6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.858 -3.795 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.026 -5.402 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.320 -5.435 -2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.562 -7.041 -3.163 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.607 -7.040 -2.045 1.00 0.00 H new ATOM 801 N PHE A 50 1.342 -0.595 -5.930 1.00 0.00 N ATOM 802 CA PHE A 50 2.248 0.206 -6.734 1.00 0.00 C ATOM 803 C PHE A 50 3.151 -0.682 -7.592 1.00 0.00 C ATOM 804 O PHE A 50 3.151 -0.573 -8.818 1.00 0.00 O ATOM 805 CB PHE A 50 3.116 1.010 -5.764 1.00 0.00 C ATOM 806 CG PHE A 50 2.406 2.216 -5.147 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.071 3.281 -5.925 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.109 2.225 -3.819 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.413 4.400 -5.353 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.451 3.346 -3.246 1.00 0.00 C ATOM 811 CZ PHE A 50 1.116 4.409 -4.025 1.00 0.00 C ATOM 0 H PHE A 50 1.554 -0.607 -4.932 1.00 0.00 H new ATOM 0 HA PHE A 50 1.679 0.853 -7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.454 0.352 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.006 1.355 -6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.306 3.274 -6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.374 1.380 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.148 5.245 -5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.217 3.354 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.614 5.261 -3.590 1.00 0.00 H new ATOM 821 N GLY A 51 3.898 -1.541 -6.915 1.00 0.00 N ATOM 822 CA GLY A 51 4.805 -2.447 -7.599 1.00 0.00 C ATOM 823 C GLY A 51 4.171 -2.989 -8.882 1.00 0.00 C ATOM 824 O GLY A 51 4.732 -2.845 -9.967 1.00 0.00 O ATOM 0 H GLY A 51 3.894 -1.629 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.733 -1.927 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.065 -3.275 -6.939 1.00 0.00 H new ATOM 828 N THR A 52 3.008 -3.604 -8.716 1.00 0.00 N ATOM 829 CA THR A 52 2.293 -4.170 -9.847 1.00 0.00 C ATOM 830 C THR A 52 1.502 -3.082 -10.577 1.00 0.00 C ATOM 831 O THR A 52 1.311 -3.156 -11.788 1.00 0.00 O ATOM 832 CB THR A 52 1.416 -5.312 -9.328 1.00 0.00 C ATOM 833 OG1 THR A 52 0.508 -4.676 -8.435 1.00 0.00 O ATOM 834 CG2 THR A 52 2.192 -6.287 -8.440 1.00 0.00 C ATOM 0 H THR A 52 2.544 -3.722 -7.815 1.00 0.00 H new ATOM 0 HA THR A 52 2.982 -4.579 -10.586 1.00 0.00 H new ATOM 0 HB THR A 52 0.986 -5.852 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.127 -5.343 -7.826 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.524 -7.078 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.011 -6.725 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.594 -5.754 -7.578 1.00 0.00 H new ATOM 842 N HIS A 53 1.064 -2.096 -9.806 1.00 0.00 N ATOM 843 CA HIS A 53 0.299 -0.995 -10.363 1.00 0.00 C ATOM 844 C HIS A 53 -1.124 -1.463 -10.674 1.00 0.00 C ATOM 845 O HIS A 53 -1.705 -1.064 -11.682 1.00 0.00 O ATOM 846 CB HIS A 53 1.009 -0.401 -11.582 1.00 0.00 C ATOM 847 CG HIS A 53 0.978 1.107 -11.638 1.00 0.00 C ATOM 848 ND1 HIS A 53 2.126 1.879 -11.683 1.00 0.00 N ATOM 849 CD2 HIS A 53 -0.072 1.978 -11.657 1.00 0.00 C ATOM 850 CE1 HIS A 53 1.771 3.154 -11.724 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.409 3.213 -11.709 1.00 0.00 N ATOM 0 H HIS A 53 1.225 -2.038 -8.800 1.00 0.00 H new ATOM 0 HA HIS A 53 0.227 -0.191 -9.631 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.047 -0.733 -11.582 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.548 -0.797 -12.487 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.117 1.708 -11.634 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.443 3.999 -11.763 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.149 4.067 -11.734 1.00 0.00 H new ATOM 859 N GLU A 54 -1.642 -2.303 -9.791 1.00 0.00 N ATOM 860 CA GLU A 54 -2.985 -2.830 -9.959 1.00 0.00 C ATOM 861 C GLU A 54 -3.785 -2.672 -8.664 1.00 0.00 C ATOM 862 O GLU A 54 -3.221 -2.737 -7.572 1.00 0.00 O ATOM 863 CB GLU A 54 -2.949 -4.294 -10.405 1.00 0.00 C ATOM 864 CG GLU A 54 -2.471 -4.415 -11.853 1.00 0.00 C ATOM 865 CD GLU A 54 -3.478 -5.195 -12.700 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.672 -4.833 -12.638 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.031 -6.136 -13.391 1.00 0.00 O ATOM 0 H GLU A 54 -1.156 -2.632 -8.957 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.482 -2.257 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.286 -4.861 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.943 -4.732 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.327 -3.421 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.503 -4.916 -11.879 1.00 0.00 H new ATOM 874 N THR A 55 -5.083 -2.469 -8.828 1.00 0.00 N ATOM 875 CA THR A 55 -5.964 -2.300 -7.686 1.00 0.00 C ATOM 876 C THR A 55 -6.629 -3.628 -7.325 1.00 0.00 C ATOM 877 O THR A 55 -7.401 -4.176 -8.113 1.00 0.00 O ATOM 878 CB THR A 55 -6.964 -1.191 -8.019 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.327 0.000 -7.564 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.238 -1.277 -7.176 1.00 0.00 C ATOM 0 H THR A 55 -5.546 -2.418 -9.735 1.00 0.00 H new ATOM 0 HA THR A 55 -5.407 -1.999 -6.799 1.00 0.00 H new ATOM 0 HB THR A 55 -7.224 -1.244 -9.076 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.375 -0.029 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.913 -0.467 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.728 -2.234 -7.354 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.982 -1.191 -6.120 1.00 0.00 H new ATOM 888 N ALA A 56 -6.308 -4.110 -6.133 1.00 0.00 N ATOM 889 CA ALA A 56 -6.867 -5.365 -5.658 1.00 0.00 C ATOM 890 C ALA A 56 -7.626 -5.120 -4.352 1.00 0.00 C ATOM 891 O ALA A 56 -7.352 -4.151 -3.645 1.00 0.00 O ATOM 892 CB ALA A 56 -5.746 -6.393 -5.495 1.00 0.00 C ATOM 0 H ALA A 56 -5.668 -3.654 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.577 -5.766 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.165 -7.334 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.257 -6.554 -6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.016 -6.024 -4.774 1.00 0.00 H new ATOM 898 N PHE A 57 -8.564 -6.013 -4.074 1.00 0.00 N ATOM 899 CA PHE A 57 -9.364 -5.905 -2.867 1.00 0.00 C ATOM 900 C PHE A 57 -8.635 -6.514 -1.669 1.00 0.00 C ATOM 901 O PHE A 57 -8.200 -7.665 -1.721 1.00 0.00 O ATOM 902 CB PHE A 57 -10.656 -6.688 -3.114 1.00 0.00 C ATOM 903 CG PHE A 57 -10.523 -8.194 -2.890 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.753 -8.720 -1.656 1.00 0.00 C ATOM 905 CD2 PHE A 57 -10.175 -9.008 -3.922 1.00 0.00 C ATOM 906 CE1 PHE A 57 -10.630 -10.120 -1.447 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.051 -10.408 -3.713 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.281 -10.934 -2.479 1.00 0.00 C ATOM 0 H PHE A 57 -8.788 -6.814 -4.664 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.560 -4.856 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.435 -6.301 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.986 -6.511 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.029 -8.074 -0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.993 -8.590 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.814 -10.538 -0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -9.774 -11.054 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.186 -11.998 -2.319 1.00 0.00 H new ATOM 918 N LEU A 58 -8.523 -5.718 -0.616 1.00 0.00 N ATOM 919 CA LEU A 58 -7.853 -6.165 0.593 1.00 0.00 C ATOM 920 C LEU A 58 -8.466 -5.457 1.803 1.00 0.00 C ATOM 921 O LEU A 58 -9.353 -4.618 1.651 1.00 0.00 O ATOM 922 CB LEU A 58 -6.340 -5.972 0.470 1.00 0.00 C ATOM 923 CG LEU A 58 -5.607 -6.978 -0.419 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.115 -6.649 -0.506 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.850 -8.412 0.055 1.00 0.00 C ATOM 0 H LEU A 58 -8.885 -4.765 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.004 -7.235 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.151 -4.970 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.906 -6.015 1.469 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.014 -6.900 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.618 -7.380 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.986 -5.652 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.677 -6.681 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.317 -9.105 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.489 -8.523 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.917 -8.630 0.021 1.00 0.00 H new ATOM 937 N GLY A 59 -7.970 -5.822 2.976 1.00 0.00 N ATOM 938 CA GLY A 59 -8.459 -5.230 4.211 1.00 0.00 C ATOM 939 C GLY A 59 -7.298 -4.782 5.101 1.00 0.00 C ATOM 940 O GLY A 59 -6.182 -4.589 4.620 1.00 0.00 O ATOM 0 H GLY A 59 -7.236 -6.519 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.097 -4.376 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.074 -5.953 4.746 1.00 0.00 H new ATOM 944 N PRO A 60 -7.609 -4.625 6.415 1.00 0.00 N ATOM 945 CA PRO A 60 -6.605 -4.203 7.377 1.00 0.00 C ATOM 946 C PRO A 60 -5.644 -5.347 7.705 1.00 0.00 C ATOM 947 O PRO A 60 -4.484 -5.111 8.038 1.00 0.00 O ATOM 948 CB PRO A 60 -7.394 -3.725 8.585 1.00 0.00 C ATOM 949 CG PRO A 60 -8.782 -4.326 8.441 1.00 0.00 C ATOM 950 CD PRO A 60 -8.920 -4.846 7.018 1.00 0.00 C ATOM 0 HA PRO A 60 -5.965 -3.407 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.922 -4.049 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.441 -2.636 8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.924 -5.134 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.546 -3.577 8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.188 -5.902 7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.701 -4.313 6.475 1.00 0.00 H new ATOM 958 N LYS A 61 -6.163 -6.562 7.599 1.00 0.00 N ATOM 959 CA LYS A 61 -5.365 -7.743 7.880 1.00 0.00 C ATOM 960 C LYS A 61 -4.301 -7.905 6.793 1.00 0.00 C ATOM 961 O LYS A 61 -3.133 -8.154 7.095 1.00 0.00 O ATOM 962 CB LYS A 61 -6.265 -8.969 8.048 1.00 0.00 C ATOM 963 CG LYS A 61 -7.041 -9.259 6.762 1.00 0.00 C ATOM 964 CD LYS A 61 -7.879 -10.532 6.901 1.00 0.00 C ATOM 965 CE LYS A 61 -8.293 -11.070 5.530 1.00 0.00 C ATOM 966 NZ LYS A 61 -8.944 -12.392 5.667 1.00 0.00 N ATOM 0 H LYS A 61 -7.126 -6.754 7.322 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.838 -7.631 8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.660 -9.835 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.963 -8.803 8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.691 -8.416 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.345 -9.367 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.308 -11.291 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.768 -10.323 7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.976 -10.370 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.417 -11.154 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.219 -12.743 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.281 -13.062 6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.791 -12.302 6.264 1.00 0.00 H new ATOM 980 N ASP A 62 -4.740 -7.759 5.553 1.00 0.00 N ATOM 981 CA ASP A 62 -3.839 -7.886 4.419 1.00 0.00 C ATOM 982 C ASP A 62 -2.907 -6.674 4.376 1.00 0.00 C ATOM 983 O ASP A 62 -1.976 -6.630 3.572 1.00 0.00 O ATOM 984 CB ASP A 62 -4.615 -7.934 3.102 1.00 0.00 C ATOM 985 CG ASP A 62 -4.981 -9.338 2.618 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.065 -10.018 2.105 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.168 -9.698 2.768 1.00 0.00 O ATOM 0 H ASP A 62 -5.708 -7.554 5.307 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.275 -8.811 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.531 -7.355 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.022 -7.443 2.330 1.00 0.00 H new ATOM 992 N LEU A 63 -3.190 -5.719 5.250 1.00 0.00 N ATOM 993 CA LEU A 63 -2.388 -4.508 5.321 1.00 0.00 C ATOM 994 C LEU A 63 -1.631 -4.482 6.650 1.00 0.00 C ATOM 995 O LEU A 63 -2.171 -4.872 7.685 1.00 0.00 O ATOM 996 CB LEU A 63 -3.258 -3.274 5.083 1.00 0.00 C ATOM 997 CG LEU A 63 -3.662 -3.006 3.632 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.251 -1.603 3.475 1.00 0.00 C ATOM 999 CD2 LEU A 63 -2.485 -3.242 2.683 1.00 0.00 C ATOM 0 H LEU A 63 -3.963 -5.759 5.915 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.641 -4.498 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.165 -3.373 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.725 -2.400 5.458 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.444 -3.715 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.529 -1.440 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.134 -1.507 4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.510 -0.862 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.799 -3.045 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.665 -2.574 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.151 -4.276 2.767 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.393 -4.015 6.582 1.00 0.00 N ATOM 1012 CA PHE A 64 0.443 -3.932 7.767 1.00 0.00 C ATOM 1013 C PHE A 64 1.266 -2.642 7.767 1.00 0.00 C ATOM 1014 O PHE A 64 1.766 -2.221 6.726 1.00 0.00 O ATOM 1015 CB PHE A 64 1.394 -5.129 7.729 1.00 0.00 C ATOM 1016 CG PHE A 64 1.392 -5.965 9.011 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.227 -6.478 9.487 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.558 -6.193 9.675 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.227 -7.255 10.677 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.558 -6.969 10.864 1.00 0.00 C ATOM 1021 CZ PHE A 64 1.392 -7.482 11.340 1.00 0.00 C ATOM 0 H PHE A 64 0.052 -3.690 5.723 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.179 -3.935 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.123 -5.769 6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.406 -4.770 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.698 -6.295 8.961 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.483 -5.784 9.297 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.698 -7.665 11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.483 -7.152 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.391 -8.070 12.246 1.00 0.00 H new ATOM 1031 N PRO A 65 1.385 -2.036 8.979 1.00 0.00 N ATOM 1032 CA PRO A 65 2.139 -0.803 9.129 1.00 0.00 C ATOM 1033 C PRO A 65 3.644 -1.071 9.078 1.00 0.00 C ATOM 1034 O PRO A 65 4.074 -2.224 9.099 1.00 0.00 O ATOM 1035 CB PRO A 65 1.683 -0.222 10.458 1.00 0.00 C ATOM 1036 CG PRO A 65 1.044 -1.373 11.218 1.00 0.00 C ATOM 1037 CD PRO A 65 0.806 -2.507 10.233 1.00 0.00 C ATOM 0 HA PRO A 65 1.957 -0.098 8.318 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.525 0.193 11.012 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.971 0.589 10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.693 -1.702 12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.104 -1.057 11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.282 -3.429 10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.257 -2.719 10.123 1.00 0.00 H new ATOM 1045 N TYR A 66 4.404 0.012 9.010 1.00 0.00 N ATOM 1046 CA TYR A 66 5.851 -0.092 8.955 1.00 0.00 C ATOM 1047 C TYR A 66 6.435 -0.354 10.346 1.00 0.00 C ATOM 1048 O TYR A 66 7.395 -1.109 10.487 1.00 0.00 O ATOM 1049 CB TYR A 66 6.354 1.263 8.452 1.00 0.00 C ATOM 1050 CG TYR A 66 7.807 1.565 8.823 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.833 1.094 8.031 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.091 2.310 9.950 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.202 1.379 8.379 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.460 2.594 10.299 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.446 2.114 9.496 1.00 0.00 C ATOM 1056 OH TYR A 66 11.739 2.384 9.825 1.00 0.00 O ATOM 0 H TYR A 66 4.044 0.966 8.992 1.00 0.00 H new ATOM 0 HA TYR A 66 6.151 -0.916 8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.252 1.297 7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.716 2.049 8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.610 0.511 7.149 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.288 2.680 10.570 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.015 1.017 7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.697 3.175 11.178 1.00 0.00 H new ATOM 0 HH TYR A 66 11.763 2.919 10.646 1.00 0.00 H new ATOM 1066 N GLU A 67 5.831 0.285 11.335 1.00 0.00 N ATOM 1067 CA GLU A 67 6.278 0.130 12.710 1.00 0.00 C ATOM 1068 C GLU A 67 6.340 -1.351 13.084 1.00 0.00 C ATOM 1069 O GLU A 67 7.352 -1.824 13.598 1.00 0.00 O ATOM 1070 CB GLU A 67 5.373 0.902 13.672 1.00 0.00 C ATOM 1071 CG GLU A 67 5.831 2.356 13.807 1.00 0.00 C ATOM 1072 CD GLU A 67 5.015 3.089 14.874 1.00 0.00 C ATOM 1073 OE1 GLU A 67 3.779 3.148 14.702 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.647 3.576 15.838 1.00 0.00 O ATOM 0 H GLU A 67 5.035 0.912 11.213 1.00 0.00 H new ATOM 0 HA GLU A 67 7.281 0.548 12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.345 0.873 13.312 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.382 0.422 14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.889 2.385 14.069 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.725 2.865 12.849 1.00 0.00 H new ATOM 1081 N GLU A 68 5.243 -2.043 12.812 1.00 0.00 N ATOM 1082 CA GLU A 68 5.159 -3.462 13.115 1.00 0.00 C ATOM 1083 C GLU A 68 6.104 -4.255 12.210 1.00 0.00 C ATOM 1084 O GLU A 68 6.862 -5.098 12.686 1.00 0.00 O ATOM 1085 CB GLU A 68 3.720 -3.967 12.981 1.00 0.00 C ATOM 1086 CG GLU A 68 3.238 -4.598 14.288 1.00 0.00 C ATOM 1087 CD GLU A 68 2.353 -5.816 14.016 1.00 0.00 C ATOM 1088 OE1 GLU A 68 1.140 -5.601 13.805 1.00 0.00 O ATOM 1089 OE2 GLU A 68 2.909 -6.936 14.023 1.00 0.00 O ATOM 0 H GLU A 68 4.405 -1.648 12.385 1.00 0.00 H new ATOM 0 HA GLU A 68 5.467 -3.611 14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.064 -3.140 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.661 -4.699 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.096 -4.895 14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.681 -3.862 14.868 1.00 0.00 H new ATOM 1096 N SER A 69 6.029 -3.954 10.922 1.00 0.00 N ATOM 1097 CA SER A 69 6.869 -4.629 9.947 1.00 0.00 C ATOM 1098 C SER A 69 8.343 -4.463 10.323 1.00 0.00 C ATOM 1099 O SER A 69 9.077 -5.447 10.415 1.00 0.00 O ATOM 1100 CB SER A 69 6.617 -4.089 8.537 1.00 0.00 C ATOM 1101 OG SER A 69 7.628 -3.171 8.127 1.00 0.00 O ATOM 0 H SER A 69 5.400 -3.252 10.531 1.00 0.00 H new ATOM 0 HA SER A 69 6.616 -5.689 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.575 -4.920 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.646 -3.596 8.506 1.00 0.00 H new ATOM 0 HG SER A 69 7.365 -2.751 7.281 1.00 0.00 H new ATOM 1107 N LYS A 70 8.731 -3.213 10.528 1.00 0.00 N ATOM 1108 CA LYS A 70 10.105 -2.907 10.892 1.00 0.00 C ATOM 1109 C LYS A 70 10.398 -3.474 12.282 1.00 0.00 C ATOM 1110 O LYS A 70 11.558 -3.597 12.674 1.00 0.00 O ATOM 1111 CB LYS A 70 10.369 -1.405 10.770 1.00 0.00 C ATOM 1112 CG LYS A 70 10.034 -0.683 12.078 1.00 0.00 C ATOM 1113 CD LYS A 70 11.280 -0.530 12.953 1.00 0.00 C ATOM 1114 CE LYS A 70 10.895 -0.261 14.410 1.00 0.00 C ATOM 1115 NZ LYS A 70 11.171 1.148 14.768 1.00 0.00 N ATOM 0 H LYS A 70 8.119 -2.401 10.449 1.00 0.00 H new ATOM 0 HA LYS A 70 10.799 -3.385 10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.415 -1.235 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.771 -0.991 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.616 0.300 11.859 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.270 -1.240 12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.884 -1.435 12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.894 0.289 12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.838 -0.480 14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.454 -0.926 15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.904 1.313 15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.185 1.345 14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.619 1.777 14.151 1.00 0.00 H new ATOM 1129 N GLU A 71 9.328 -3.803 12.991 1.00 0.00 N ATOM 1130 CA GLU A 71 9.455 -4.354 14.328 1.00 0.00 C ATOM 1131 C GLU A 71 10.174 -5.703 14.281 1.00 0.00 C ATOM 1132 O GLU A 71 11.198 -5.890 14.937 1.00 0.00 O ATOM 1133 CB GLU A 71 8.088 -4.483 15.002 1.00 0.00 C ATOM 1134 CG GLU A 71 8.181 -4.172 16.496 1.00 0.00 C ATOM 1135 CD GLU A 71 9.039 -5.212 17.221 1.00 0.00 C ATOM 1136 OE1 GLU A 71 10.277 -5.132 17.069 1.00 0.00 O ATOM 1137 OE2 GLU A 71 8.437 -6.064 17.910 1.00 0.00 O ATOM 0 H GLU A 71 8.368 -3.698 12.663 1.00 0.00 H new ATOM 0 HA GLU A 71 10.053 -3.667 14.926 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.380 -3.803 14.529 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.703 -5.493 14.861 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.609 -3.180 16.638 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.181 -4.154 16.930 1.00 0.00 H new ATOM 1144 N LYS A 72 9.609 -6.611 13.499 1.00 0.00 N ATOM 1145 CA LYS A 72 10.183 -7.939 13.356 1.00 0.00 C ATOM 1146 C LYS A 72 11.015 -7.996 12.074 1.00 0.00 C ATOM 1147 O LYS A 72 12.235 -8.138 12.127 1.00 0.00 O ATOM 1148 CB LYS A 72 9.087 -9.006 13.428 1.00 0.00 C ATOM 1149 CG LYS A 72 9.682 -10.410 13.310 1.00 0.00 C ATOM 1150 CD LYS A 72 10.572 -10.731 14.513 1.00 0.00 C ATOM 1151 CE LYS A 72 12.044 -10.797 14.105 1.00 0.00 C ATOM 1152 NZ LYS A 72 12.775 -11.767 14.952 1.00 0.00 N ATOM 0 H LYS A 72 8.759 -6.453 12.957 1.00 0.00 H new ATOM 0 HA LYS A 72 10.860 -8.153 14.183 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.546 -8.914 14.370 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.364 -8.845 12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.879 -11.144 13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.264 -10.486 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.438 -9.970 15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.269 -11.683 14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.124 -11.087 13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.498 -9.810 14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.773 -11.799 14.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.714 -11.473 15.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.352 -12.711 14.843 1.00 0.00 H new ATOM 1166 N PHE A 73 10.320 -7.882 10.951 1.00 0.00 N ATOM 1167 CA PHE A 73 10.981 -7.919 9.657 1.00 0.00 C ATOM 1168 C PHE A 73 10.502 -6.772 8.766 1.00 0.00 C ATOM 1169 O PHE A 73 11.165 -5.741 8.664 1.00 0.00 O ATOM 1170 CB PHE A 73 10.607 -9.250 9.002 1.00 0.00 C ATOM 1171 CG PHE A 73 9.603 -10.079 9.806 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.366 -9.580 10.073 1.00 0.00 C ATOM 1173 CD2 PHE A 73 9.948 -11.316 10.256 1.00 0.00 C ATOM 1174 CE1 PHE A 73 7.435 -10.350 10.819 1.00 0.00 C ATOM 1175 CE2 PHE A 73 9.018 -12.085 11.003 1.00 0.00 C ATOM 1176 CZ PHE A 73 7.781 -11.586 11.269 1.00 0.00 C ATOM 0 H PHE A 73 9.308 -7.764 10.910 1.00 0.00 H new ATOM 0 HA PHE A 73 12.059 -7.818 9.785 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.191 -9.053 8.014 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.513 -9.838 8.855 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.092 -8.598 9.717 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.930 -11.713 10.045 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.452 -9.954 11.029 1.00 0.00 H new ATOM 0 HE2 PHE A 73 9.293 -13.067 11.360 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.073 -12.171 11.838 1.00 0.00 H new ATOM 1186 N GLY A 74 9.355 -6.990 8.139 1.00 0.00 N ATOM 1187 CA GLY A 74 8.779 -5.988 7.259 1.00 0.00 C ATOM 1188 C GLY A 74 9.596 -5.855 5.972 1.00 0.00 C ATOM 1189 O GLY A 74 9.360 -4.950 5.173 1.00 0.00 O ATOM 0 H GLY A 74 8.809 -7.847 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.752 -6.260 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.742 -5.027 7.771 1.00 0.00 H new ATOM 1193 N LYS A 75 10.541 -6.770 5.811 1.00 0.00 N ATOM 1194 CA LYS A 75 11.395 -6.767 4.636 1.00 0.00 C ATOM 1195 C LYS A 75 11.104 -8.012 3.796 1.00 0.00 C ATOM 1196 O LYS A 75 11.669 -9.077 4.041 1.00 0.00 O ATOM 1197 CB LYS A 75 12.863 -6.627 5.039 1.00 0.00 C ATOM 1198 CG LYS A 75 13.043 -5.519 6.078 1.00 0.00 C ATOM 1199 CD LYS A 75 14.304 -5.748 6.913 1.00 0.00 C ATOM 1200 CE LYS A 75 15.561 -5.648 6.046 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.344 -6.902 6.122 1.00 0.00 N ATOM 0 H LYS A 75 10.734 -7.519 6.476 1.00 0.00 H new ATOM 0 HA LYS A 75 11.177 -5.901 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.224 -7.572 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.466 -6.406 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.105 -4.553 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.171 -5.484 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.352 -5.012 7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.260 -6.730 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.282 -5.449 5.011 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.173 -4.809 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.194 -6.817 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.627 -7.076 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.763 -7.695 5.784 1.00 0.00 H new ATOM 1215 N PRO A 76 10.198 -7.835 2.798 1.00 0.00 N ATOM 1216 CA PRO A 76 9.824 -8.931 1.922 1.00 0.00 C ATOM 1217 C PRO A 76 10.933 -9.225 0.909 1.00 0.00 C ATOM 1218 O PRO A 76 11.930 -8.508 0.849 1.00 0.00 O ATOM 1219 CB PRO A 76 8.526 -8.488 1.268 1.00 0.00 C ATOM 1220 CG PRO A 76 8.463 -6.980 1.445 1.00 0.00 C ATOM 1221 CD PRO A 76 9.506 -6.587 2.479 1.00 0.00 C ATOM 0 HA PRO A 76 9.684 -9.869 2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.509 -8.758 0.212 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.668 -8.972 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.656 -6.476 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.469 -6.675 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.196 -5.842 2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.042 -6.153 3.365 1.00 0.00 H new ATOM 1229 N ASN A 77 10.722 -10.282 0.138 1.00 0.00 N ATOM 1230 CA ASN A 77 11.690 -10.680 -0.868 1.00 0.00 C ATOM 1231 C ASN A 77 12.064 -9.464 -1.720 1.00 0.00 C ATOM 1232 O ASN A 77 11.203 -8.657 -2.065 1.00 0.00 O ATOM 1233 CB ASN A 77 11.112 -11.748 -1.798 1.00 0.00 C ATOM 1234 CG ASN A 77 10.313 -12.788 -1.009 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.801 -13.851 -0.662 1.00 0.00 O ATOM 1236 ND2 ASN A 77 9.062 -12.423 -0.746 1.00 0.00 N ATOM 0 H ASN A 77 9.894 -10.875 0.191 1.00 0.00 H new ATOM 0 HA ASN A 77 12.562 -11.083 -0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.469 -11.278 -2.542 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.920 -12.239 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.447 -13.048 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.717 -11.518 -1.066 1.00 0.00 H new ATOM 1243 N LYS A 78 13.348 -9.374 -2.034 1.00 0.00 N ATOM 1244 CA LYS A 78 13.845 -8.270 -2.838 1.00 0.00 C ATOM 1245 C LYS A 78 13.833 -8.674 -4.313 1.00 0.00 C ATOM 1246 O LYS A 78 14.828 -9.180 -4.831 1.00 0.00 O ATOM 1247 CB LYS A 78 15.218 -7.817 -2.336 1.00 0.00 C ATOM 1248 CG LYS A 78 15.490 -6.363 -2.725 1.00 0.00 C ATOM 1249 CD LYS A 78 15.197 -5.420 -1.556 1.00 0.00 C ATOM 1250 CE LYS A 78 16.397 -5.328 -0.610 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.293 -4.123 0.244 1.00 0.00 N ATOM 0 H LYS A 78 14.059 -10.047 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 78 13.193 -7.402 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.266 -7.923 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.993 -8.460 -2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.530 -6.254 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.873 -6.090 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.953 -4.428 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.324 -5.775 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.445 -6.220 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.321 -5.293 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.115 -4.076 0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.270 -3.274 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.421 -4.172 0.809 1.00 0.00 H new ATOM 1265 N ARG A 79 12.696 -8.437 -4.950 1.00 0.00 N ATOM 1266 CA ARG A 79 12.540 -8.770 -6.356 1.00 0.00 C ATOM 1267 C ARG A 79 12.721 -7.521 -7.220 1.00 0.00 C ATOM 1268 O ARG A 79 13.032 -6.446 -6.708 1.00 0.00 O ATOM 1269 CB ARG A 79 11.163 -9.376 -6.630 1.00 0.00 C ATOM 1270 CG ARG A 79 11.149 -10.873 -6.311 1.00 0.00 C ATOM 1271 CD ARG A 79 11.722 -11.686 -7.473 1.00 0.00 C ATOM 1272 NE ARG A 79 11.764 -13.122 -7.113 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.495 -14.038 -7.763 1.00 0.00 C ATOM 1274 NH1 ARG A 79 13.249 -13.673 -8.808 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.471 -15.317 -7.367 1.00 0.00 N ATOM 0 H ARG A 79 11.873 -8.018 -4.518 1.00 0.00 H new ATOM 0 HA ARG A 79 13.304 -9.505 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.411 -8.865 -6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.895 -9.221 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.731 -11.062 -5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.128 -11.195 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.110 -11.544 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.725 -11.334 -7.715 1.00 0.00 H new ATOM 0 HE ARG A 79 11.202 -13.433 -6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.267 -12.698 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.806 -14.370 -9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.896 -15.594 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.027 -16.015 -7.861 1.00 0.00 H new ATOM 1289 N LYS A 80 12.520 -7.703 -8.517 1.00 0.00 N ATOM 1290 CA LYS A 80 12.656 -6.603 -9.457 1.00 0.00 C ATOM 1291 C LYS A 80 11.531 -5.593 -9.222 1.00 0.00 C ATOM 1292 O LYS A 80 11.767 -4.387 -9.221 1.00 0.00 O ATOM 1293 CB LYS A 80 12.719 -7.131 -10.892 1.00 0.00 C ATOM 1294 CG LYS A 80 13.762 -6.368 -11.712 1.00 0.00 C ATOM 1295 CD LYS A 80 13.137 -5.768 -12.973 1.00 0.00 C ATOM 1296 CE LYS A 80 13.269 -6.724 -14.159 1.00 0.00 C ATOM 1297 NZ LYS A 80 11.935 -7.102 -14.673 1.00 0.00 N ATOM 0 H LYS A 80 12.264 -8.596 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 80 13.596 -6.076 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.965 -8.193 -10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.740 -7.035 -11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.197 -5.574 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.574 -7.040 -11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.084 -5.550 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.623 -4.821 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.850 -6.251 -14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.814 -7.617 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.044 -7.751 -15.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.393 -7.572 -13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.428 -6.249 -14.983 1.00 0.00 H new ATOM 1311 N GLY A 81 10.334 -6.125 -9.027 1.00 0.00 N ATOM 1312 CA GLY A 81 9.171 -5.284 -8.790 1.00 0.00 C ATOM 1313 C GLY A 81 9.185 -4.718 -7.370 1.00 0.00 C ATOM 1314 O GLY A 81 8.391 -3.836 -7.042 1.00 0.00 O ATOM 0 H GLY A 81 10.143 -7.127 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.156 -4.467 -9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.261 -5.863 -8.946 1.00 0.00 H new ATOM 1318 N PHE A 82 10.096 -5.245 -6.565 1.00 0.00 N ATOM 1319 CA PHE A 82 10.223 -4.801 -5.188 1.00 0.00 C ATOM 1320 C PHE A 82 11.027 -3.503 -5.101 1.00 0.00 C ATOM 1321 O PHE A 82 10.667 -2.591 -4.359 1.00 0.00 O ATOM 1322 CB PHE A 82 10.970 -5.901 -4.431 1.00 0.00 C ATOM 1323 CG PHE A 82 11.331 -5.532 -2.991 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.270 -4.577 -2.748 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.714 -6.158 -1.954 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.602 -4.235 -1.410 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.048 -5.815 -0.616 1.00 0.00 C ATOM 1328 CZ PHE A 82 11.985 -4.861 -0.373 1.00 0.00 C ATOM 0 H PHE A 82 10.753 -5.975 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 82 9.236 -4.614 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.356 -6.802 -4.421 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.884 -6.144 -4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.762 -4.080 -3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.970 -6.916 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.346 -3.476 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.557 -6.312 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.239 -4.600 0.644 1.00 0.00 H new ATOM 1338 N SER A 83 12.105 -3.459 -5.872 1.00 0.00 N ATOM 1339 CA SER A 83 12.964 -2.287 -5.892 1.00 0.00 C ATOM 1340 C SER A 83 12.295 -1.162 -6.685 1.00 0.00 C ATOM 1341 O SER A 83 12.109 -0.061 -6.169 1.00 0.00 O ATOM 1342 CB SER A 83 14.333 -2.618 -6.491 1.00 0.00 C ATOM 1343 OG SER A 83 14.220 -3.288 -7.743 1.00 0.00 O ATOM 0 H SER A 83 12.403 -4.216 -6.487 1.00 0.00 H new ATOM 0 HA SER A 83 13.117 -1.957 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.903 -1.698 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.892 -3.243 -5.795 1.00 0.00 H new ATOM 0 HG SER A 83 15.115 -3.480 -8.093 1.00 0.00 H new ATOM 1349 N GLU A 84 11.953 -1.477 -7.924 1.00 0.00 N ATOM 1350 CA GLU A 84 11.310 -0.506 -8.794 1.00 0.00 C ATOM 1351 C GLU A 84 9.973 -0.064 -8.196 1.00 0.00 C ATOM 1352 O GLU A 84 9.545 1.073 -8.395 1.00 0.00 O ATOM 1353 CB GLU A 84 11.119 -1.072 -10.202 1.00 0.00 C ATOM 1354 CG GLU A 84 9.809 -1.856 -10.306 1.00 0.00 C ATOM 1355 CD GLU A 84 9.731 -2.621 -11.629 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.761 -3.226 -11.996 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.643 -2.582 -12.243 1.00 0.00 O ATOM 0 H GLU A 84 12.109 -2.392 -8.348 1.00 0.00 H new ATOM 0 HA GLU A 84 11.958 0.367 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.118 -0.259 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.957 -1.722 -10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.732 -2.555 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.964 -1.172 -10.227 1.00 0.00 H new ATOM 1364 N GLY A 85 9.350 -0.982 -7.474 1.00 0.00 N ATOM 1365 CA GLY A 85 8.071 -0.701 -6.845 1.00 0.00 C ATOM 1366 C GLY A 85 8.240 0.250 -5.659 1.00 0.00 C ATOM 1367 O GLY A 85 7.722 1.365 -5.674 1.00 0.00 O ATOM 0 H GLY A 85 9.708 -1.923 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.392 -0.260 -7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.616 -1.632 -6.507 1.00 0.00 H new ATOM 1371 N LEU A 86 8.968 -0.226 -4.658 1.00 0.00 N ATOM 1372 CA LEU A 86 9.212 0.569 -3.466 1.00 0.00 C ATOM 1373 C LEU A 86 9.584 1.996 -3.877 1.00 0.00 C ATOM 1374 O LEU A 86 9.370 2.939 -3.118 1.00 0.00 O ATOM 1375 CB LEU A 86 10.258 -0.107 -2.577 1.00 0.00 C ATOM 1376 CG LEU A 86 11.170 0.830 -1.785 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.083 1.629 -2.719 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.354 1.741 -0.864 1.00 0.00 C ATOM 0 H LEU A 86 9.396 -1.152 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 86 8.308 0.636 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.741 -0.759 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.881 -0.745 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 86 11.814 0.222 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.721 2.287 -2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.704 0.943 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.475 2.226 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.027 2.397 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.669 2.343 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.784 1.132 -0.162 1.00 0.00 H new ATOM 1390 N TRP A 87 10.132 2.107 -5.078 1.00 0.00 N ATOM 1391 CA TRP A 87 10.535 3.403 -5.598 1.00 0.00 C ATOM 1392 C TRP A 87 9.335 4.016 -6.324 1.00 0.00 C ATOM 1393 O TRP A 87 9.054 5.204 -6.175 1.00 0.00 O ATOM 1394 CB TRP A 87 11.770 3.277 -6.490 1.00 0.00 C ATOM 1395 CG TRP A 87 12.634 4.539 -6.543 1.00 0.00 C ATOM 1396 CD1 TRP A 87 12.894 5.316 -7.603 1.00 0.00 C ATOM 1397 CD2 TRP A 87 13.342 5.141 -5.441 1.00 0.00 C ATOM 1398 NE1 TRP A 87 13.717 6.372 -7.265 1.00 0.00 N ATOM 1399 CE2 TRP A 87 13.997 6.263 -5.908 1.00 0.00 C ATOM 1400 CE3 TRP A 87 13.428 4.753 -4.091 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 14.785 7.086 -5.094 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 14.218 5.586 -3.291 1.00 0.00 C ATOM 1403 CH2 TRP A 87 14.883 6.718 -3.747 1.00 0.00 C ATOM 0 H TRP A 87 10.306 1.322 -5.705 1.00 0.00 H new ATOM 0 HA TRP A 87 10.829 4.068 -4.786 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.380 2.447 -6.133 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.450 3.026 -7.501 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.509 5.139 -8.596 1.00 0.00 H new ATOM 0 HE1 TRP A 87 14.057 7.098 -7.895 1.00 0.00 H new ATOM 0 HE3 TRP A 87 12.924 3.880 -3.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 15.290 7.957 -5.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 14.318 5.331 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 87 15.473 7.312 -3.065 1.00 0.00 H new ATOM 1414 N GLU A 88 8.657 3.176 -7.093 1.00 0.00 N ATOM 1415 CA GLU A 88 7.493 3.619 -7.842 1.00 0.00 C ATOM 1416 C GLU A 88 6.515 4.348 -6.920 1.00 0.00 C ATOM 1417 O GLU A 88 5.679 5.121 -7.384 1.00 0.00 O ATOM 1418 CB GLU A 88 6.812 2.442 -8.543 1.00 0.00 C ATOM 1419 CG GLU A 88 6.613 2.732 -10.032 1.00 0.00 C ATOM 1420 CD GLU A 88 5.432 3.680 -10.252 1.00 0.00 C ATOM 1421 OE1 GLU A 88 4.373 3.421 -9.643 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.616 4.645 -11.027 1.00 0.00 O ATOM 0 H GLU A 88 8.892 2.191 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 88 7.824 4.316 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.416 1.543 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.848 2.244 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.520 3.173 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.440 1.799 -10.568 1.00 0.00 H new ATOM 1429 N ILE A 89 6.654 4.078 -5.631 1.00 0.00 N ATOM 1430 CA ILE A 89 5.793 4.701 -4.639 1.00 0.00 C ATOM 1431 C ILE A 89 6.541 5.858 -3.975 1.00 0.00 C ATOM 1432 O ILE A 89 5.946 6.889 -3.664 1.00 0.00 O ATOM 1433 CB ILE A 89 5.275 3.656 -3.649 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.829 4.312 -2.340 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.314 2.558 -3.414 1.00 0.00 C ATOM 1436 CD1 ILE A 89 6.036 4.753 -1.510 1.00 0.00 C ATOM 0 H ILE A 89 7.349 3.437 -5.250 1.00 0.00 H new ATOM 0 HA ILE A 89 4.908 5.124 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 89 4.397 3.180 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.198 5.174 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.224 3.611 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.919 1.829 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.539 2.062 -4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.225 3.000 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.692 5.216 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.652 3.885 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.625 5.472 -2.079 1.00 0.00 H new ATOM 1448 N GLU A 90 7.835 5.651 -3.777 1.00 0.00 N ATOM 1449 CA GLU A 90 8.669 6.665 -3.156 1.00 0.00 C ATOM 1450 C GLU A 90 8.856 7.852 -4.104 1.00 0.00 C ATOM 1451 O GLU A 90 9.377 8.892 -3.705 1.00 0.00 O ATOM 1452 CB GLU A 90 10.020 6.080 -2.736 1.00 0.00 C ATOM 1453 CG GLU A 90 9.967 5.552 -1.302 1.00 0.00 C ATOM 1454 CD GLU A 90 11.141 6.084 -0.478 1.00 0.00 C ATOM 1455 OE1 GLU A 90 12.285 5.713 -0.816 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.868 6.848 0.473 1.00 0.00 O ATOM 0 H GLU A 90 8.326 4.795 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 90 8.167 7.020 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.298 5.273 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.792 6.845 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.027 5.848 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.989 4.462 -1.311 1.00 0.00 H new ATOM 1463 N ASN A 91 8.420 7.657 -5.339 1.00 0.00 N ATOM 1464 CA ASN A 91 8.531 8.698 -6.346 1.00 0.00 C ATOM 1465 C ASN A 91 7.154 8.961 -6.955 1.00 0.00 C ATOM 1466 O ASN A 91 7.013 9.025 -8.176 1.00 0.00 O ATOM 1467 CB ASN A 91 9.474 8.273 -7.474 1.00 0.00 C ATOM 1468 CG ASN A 91 10.398 7.142 -7.021 1.00 0.00 C ATOM 1469 OD1 ASN A 91 10.587 6.148 -7.704 1.00 0.00 O ATOM 1470 ND2 ASN A 91 10.962 7.345 -5.834 1.00 0.00 N ATOM 0 H ASN A 91 7.989 6.792 -5.666 1.00 0.00 H new ATOM 0 HA ASN A 91 8.924 9.593 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.892 7.948 -8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.070 9.127 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.595 6.647 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.762 8.199 -5.313 1.00 0.00 H new ATOM 1477 N ASN A 92 6.173 9.110 -6.077 1.00 0.00 N ATOM 1478 CA ASN A 92 4.810 9.366 -6.514 1.00 0.00 C ATOM 1479 C ASN A 92 4.782 10.642 -7.359 1.00 0.00 C ATOM 1480 O ASN A 92 5.648 11.505 -7.217 1.00 0.00 O ATOM 1481 CB ASN A 92 3.878 9.570 -5.319 1.00 0.00 C ATOM 1482 CG ASN A 92 4.112 10.934 -4.666 1.00 0.00 C ATOM 1483 OD1 ASN A 92 4.038 11.975 -5.299 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.399 10.869 -3.368 1.00 0.00 N ATOM 0 H ASN A 92 6.294 9.058 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 92 4.473 8.505 -7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 92 2.841 9.492 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.042 8.780 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.573 11.725 -2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.445 9.964 -2.901 1.00 0.00 H new ATOM 1491 N PRO A 93 3.750 10.724 -8.242 1.00 0.00 N ATOM 1492 CA PRO A 93 3.597 11.880 -9.108 1.00 0.00 C ATOM 1493 C PRO A 93 3.070 13.085 -8.328 1.00 0.00 C ATOM 1494 O PRO A 93 3.502 14.214 -8.555 1.00 0.00 O ATOM 1495 CB PRO A 93 2.651 11.425 -10.207 1.00 0.00 C ATOM 1496 CG PRO A 93 1.947 10.191 -9.666 1.00 0.00 C ATOM 1497 CD PRO A 93 2.705 9.723 -8.437 1.00 0.00 C ATOM 0 HA PRO A 93 4.544 12.218 -9.529 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.933 12.208 -10.453 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.197 11.194 -11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.913 10.423 -9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.921 9.405 -10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.050 9.660 -7.568 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.130 8.731 -8.588 1.00 0.00 H new ATOM 1505 N THR A 94 2.145 12.805 -7.421 1.00 0.00 N ATOM 1506 CA THR A 94 1.554 13.852 -6.606 1.00 0.00 C ATOM 1507 C THR A 94 1.880 13.624 -5.128 1.00 0.00 C ATOM 1508 O THR A 94 1.111 12.985 -4.411 1.00 0.00 O ATOM 1509 CB THR A 94 0.053 13.889 -6.898 1.00 0.00 C ATOM 1510 OG1 THR A 94 -0.423 14.993 -6.133 1.00 0.00 O ATOM 1511 CG2 THR A 94 -0.688 12.684 -6.314 1.00 0.00 C ATOM 0 H THR A 94 1.791 11.867 -7.233 1.00 0.00 H new ATOM 0 HA THR A 94 1.971 14.828 -6.853 1.00 0.00 H new ATOM 0 HB THR A 94 -0.105 13.925 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.389 15.090 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.749 12.760 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.286 11.766 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.557 12.666 -5.232 1.00 0.00 H new ATOM 1519 N VAL A 95 3.020 14.161 -4.717 1.00 0.00 N ATOM 1520 CA VAL A 95 3.457 14.023 -3.339 1.00 0.00 C ATOM 1521 C VAL A 95 2.859 15.159 -2.503 1.00 0.00 C ATOM 1522 O VAL A 95 2.829 16.307 -2.942 1.00 0.00 O ATOM 1523 CB VAL A 95 4.984 13.975 -3.276 1.00 0.00 C ATOM 1524 CG1 VAL A 95 5.596 15.277 -3.800 1.00 0.00 C ATOM 1525 CG2 VAL A 95 5.465 13.675 -1.855 1.00 0.00 C ATOM 0 H VAL A 95 3.654 14.692 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 95 3.099 13.084 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 95 5.321 13.164 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.683 15.216 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.294 15.430 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.248 16.113 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.554 13.646 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.112 14.454 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.072 12.710 -1.534 1.00 0.00 H new ATOM 1535 N LYS A 96 2.399 14.797 -1.316 1.00 0.00 N ATOM 1536 CA LYS A 96 1.804 15.770 -0.415 1.00 0.00 C ATOM 1537 C LYS A 96 2.711 15.952 0.803 1.00 0.00 C ATOM 1538 O LYS A 96 2.766 17.035 1.386 1.00 0.00 O ATOM 1539 CB LYS A 96 0.372 15.367 -0.061 1.00 0.00 C ATOM 1540 CG LYS A 96 0.355 14.105 0.804 1.00 0.00 C ATOM 1541 CD LYS A 96 -0.465 14.323 2.078 1.00 0.00 C ATOM 1542 CE LYS A 96 -0.986 12.994 2.627 1.00 0.00 C ATOM 1543 NZ LYS A 96 0.045 12.336 3.458 1.00 0.00 N ATOM 0 H LYS A 96 2.426 13.843 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 96 1.725 16.742 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.118 16.183 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.197 15.194 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.065 13.276 0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.375 13.827 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.150 14.816 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.303 14.987 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.884 13.166 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.269 12.339 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.326 11.435 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.891 12.154 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.295 12.955 4.255 1.00 0.00 H new ATOM 1557 N ALA A 97 3.403 14.878 1.153 1.00 0.00 N ATOM 1558 CA ALA A 97 4.304 14.905 2.292 1.00 0.00 C ATOM 1559 C ALA A 97 5.658 15.468 1.851 1.00 0.00 C ATOM 1560 O ALA A 97 6.564 14.713 1.504 1.00 0.00 O ATOM 1561 CB ALA A 97 4.422 13.499 2.884 1.00 0.00 C ATOM 0 H ALA A 97 3.358 13.982 0.667 1.00 0.00 H new ATOM 0 HA ALA A 97 3.914 15.556 3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.098 13.520 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.439 13.157 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.813 12.818 2.128 1.00 0.00 H new ATOM 1567 N SER A 98 5.750 16.789 1.880 1.00 0.00 N ATOM 1568 CA SER A 98 6.978 17.461 1.489 1.00 0.00 C ATOM 1569 C SER A 98 8.158 16.907 2.291 1.00 0.00 C ATOM 1570 O SER A 98 7.985 16.458 3.423 1.00 0.00 O ATOM 1571 CB SER A 98 6.865 18.974 1.688 1.00 0.00 C ATOM 1572 OG SER A 98 6.736 19.323 3.063 1.00 0.00 O ATOM 0 H SER A 98 4.995 17.412 2.168 1.00 0.00 H new ATOM 0 HA SER A 98 7.148 17.272 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.747 19.461 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.003 19.349 1.136 1.00 0.00 H new ATOM 0 HG SER A 98 6.668 20.297 3.148 1.00 0.00 H new ATOM 1578 N GLY A 99 9.327 16.958 1.673 1.00 0.00 N ATOM 1579 CA GLY A 99 10.535 16.466 2.314 1.00 0.00 C ATOM 1580 C GLY A 99 11.701 16.412 1.324 1.00 0.00 C ATOM 1581 O GLY A 99 12.719 17.076 1.522 1.00 0.00 O ATOM 0 H GLY A 99 9.465 17.333 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.795 17.113 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.354 15.472 2.723 1.00 0.00 H new ATOM 1585 N TYR A 100 11.514 15.618 0.281 1.00 0.00 N ATOM 1586 CA TYR A 100 12.536 15.471 -0.741 1.00 0.00 C ATOM 1587 C TYR A 100 11.949 15.676 -2.139 1.00 0.00 C ATOM 1588 O TYR A 100 12.156 16.721 -2.756 1.00 0.00 O ATOM 1589 CB TYR A 100 13.046 14.032 -0.621 1.00 0.00 C ATOM 1590 CG TYR A 100 12.894 13.211 -1.903 1.00 0.00 C ATOM 1591 CD1 TYR A 100 13.501 13.632 -3.069 1.00 0.00 C ATOM 1592 CD2 TYR A 100 12.152 12.048 -1.893 1.00 0.00 C ATOM 1593 CE1 TYR A 100 13.358 12.858 -4.274 1.00 0.00 C ATOM 1594 CE2 TYR A 100 12.009 11.274 -3.099 1.00 0.00 C ATOM 1595 CZ TYR A 100 12.620 11.718 -4.230 1.00 0.00 C ATOM 1596 OH TYR A 100 12.486 10.987 -5.369 1.00 0.00 O ATOM 0 H TYR A 100 10.669 15.069 0.121 1.00 0.00 H new ATOM 0 HA TYR A 100 13.326 16.209 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.098 14.052 -0.337 1.00 0.00 H new ATOM 0 HB3 TYR A 100 12.508 13.532 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 100 14.083 14.542 -3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 100 11.678 11.718 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 100 13.827 13.176 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR A 100 11.430 10.362 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 100 11.933 10.198 -5.188 1.00 0.00 H new TER 1606 TYR A 100