USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 92 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot 111:sc= 0.217 USER MOD Set 2.1: A 33 HIS : no HD1:sc= 0.143 K(o=-0.17,f=-1.6) USER MOD Set 2.2: A 98 SER OG : rot -88:sc= -0.318 USER MOD Set 3.1: A 24 ASN : amide:sc= -7.91! C(o=-10!,f=-10!) USER MOD Set 3.2: A 26 HIS : no HD1:sc= -1.47 K(o=-10,f=-13!) USER MOD Set 3.3: A 36 THR OG1 : rot -59:sc= -1.82! USER MOD Set 3.4: A 88 THR OG1 : rot 123:sc= 0.476 USER MOD Set 3.5: A 95 THR OG1 : rot 20:sc= 0.238 USER MOD Set 4.1: A 23 CYS SG : rot 178:sc= -0.582! USER MOD Set 4.2: A 25 HIS : no HD1:sc= -5.38! K(o=-3.5!,f=2.1) USER MOD Set 4.3: A 64 ASN : amide:sc= 0.374 K(o=-3.5,f=-10!) USER MOD Set 4.4: A 70 CYS SG : rot 22:sc= 1.65 USER MOD Set 4.5: A 87 SER OG : rot -133:sc= 0.425 USER MOD Single : A 19 SER OG : rot 33:sc= 0.149 USER MOD Single : A 22 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.55) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.98 K(o=-2,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.0272 (180deg=-0.322) USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.697) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.11) USER MOD Single : A 54 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.63) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0221) USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00863) USER MOD Single : A 66 SER OG : rot 180:sc= 0.199 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= -0.0143 (180deg=-0.234) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 83 SER OG : rot 180:sc=-0.00492 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.893 0.795 -4.246 1.00 0.00 N ATOM 2 CA SER A 19 19.696 1.828 -3.207 1.00 0.00 C ATOM 3 C SER A 19 18.213 1.991 -2.891 1.00 0.00 C ATOM 4 O SER A 19 17.773 1.710 -1.776 1.00 0.00 O ATOM 5 CB SER A 19 20.286 3.157 -3.679 1.00 0.00 C ATOM 6 OG SER A 19 21.644 2.997 -4.062 1.00 0.00 O ATOM 0 HA SER A 19 20.208 1.514 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.708 3.538 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.213 3.896 -2.882 1.00 0.00 H new ATOM 0 HG SER A 19 21.773 2.105 -4.446 1.00 0.00 H new ATOM 14 N PHE A 20 17.443 2.454 -3.871 1.00 0.00 N ATOM 15 CA PHE A 20 16.004 2.560 -3.712 1.00 0.00 C ATOM 16 C PHE A 20 15.340 1.259 -4.134 1.00 0.00 C ATOM 17 O PHE A 20 15.736 0.638 -5.123 1.00 0.00 O ATOM 18 CB PHE A 20 15.430 3.757 -4.487 1.00 0.00 C ATOM 19 CG PHE A 20 15.787 3.799 -5.948 1.00 0.00 C ATOM 20 CD1 PHE A 20 15.025 3.119 -6.885 1.00 0.00 C ATOM 21 CD2 PHE A 20 16.880 4.531 -6.385 1.00 0.00 C ATOM 22 CE1 PHE A 20 15.347 3.165 -8.227 1.00 0.00 C ATOM 23 CE2 PHE A 20 17.207 4.579 -7.725 1.00 0.00 C ATOM 24 CZ PHE A 20 16.440 3.894 -8.648 1.00 0.00 C ATOM 0 H PHE A 20 17.793 2.760 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 20 15.790 2.737 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.344 3.744 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 20 15.779 4.676 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.169 2.546 -6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.483 5.070 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.744 2.631 -8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.062 5.152 -8.052 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.696 3.929 -9.697 1.00 0.00 H new ATOM 34 N VAL A 21 14.340 0.851 -3.380 1.00 0.00 N ATOM 35 CA VAL A 21 13.727 -0.452 -3.570 1.00 0.00 C ATOM 36 C VAL A 21 12.236 -0.331 -3.887 1.00 0.00 C ATOM 37 O VAL A 21 11.528 0.496 -3.312 1.00 0.00 O ATOM 38 CB VAL A 21 13.954 -1.334 -2.318 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.699 -0.524 -1.065 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.074 -2.573 -2.335 1.00 0.00 C ATOM 0 H VAL A 21 13.932 1.404 -2.626 1.00 0.00 H new ATOM 0 HA VAL A 21 14.203 -0.928 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 21 14.991 -1.670 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.860 -1.150 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.382 0.325 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.671 -0.162 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.263 -3.166 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.026 -2.275 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.301 -3.169 -3.219 1.00 0.00 H new ATOM 50 N GLN A 22 11.782 -1.137 -4.838 1.00 0.00 N ATOM 51 CA GLN A 22 10.369 -1.204 -5.184 1.00 0.00 C ATOM 52 C GLN A 22 9.729 -2.404 -4.498 1.00 0.00 C ATOM 53 O GLN A 22 10.352 -3.461 -4.367 1.00 0.00 O ATOM 54 CB GLN A 22 10.189 -1.272 -6.709 1.00 0.00 C ATOM 55 CG GLN A 22 10.871 -2.457 -7.374 1.00 0.00 C ATOM 56 CD GLN A 22 9.996 -3.697 -7.447 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.491 -4.819 -7.377 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.693 -3.507 -7.615 1.00 0.00 N ATOM 0 H GLN A 22 12.377 -1.758 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 22 9.871 -0.300 -4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.123 -1.309 -6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.576 -0.353 -7.149 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.171 -2.174 -8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.782 -2.697 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.318 -2.560 -7.669 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.066 -4.308 -7.691 1.00 0.00 H new ATOM 67 N CYS A 23 8.496 -2.243 -4.046 1.00 0.00 N ATOM 68 CA CYS A 23 7.834 -3.294 -3.294 1.00 0.00 C ATOM 69 C CYS A 23 6.318 -3.180 -3.386 1.00 0.00 C ATOM 70 O CYS A 23 5.773 -2.124 -3.707 1.00 0.00 O ATOM 71 CB CYS A 23 8.287 -3.234 -1.834 1.00 0.00 C ATOM 72 SG CYS A 23 8.179 -1.588 -1.097 1.00 0.00 S ATOM 0 H CYS A 23 7.938 -1.401 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 23 8.113 -4.255 -3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.680 -3.924 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.318 -3.583 -1.770 1.00 0.00 H new ATOM 0 HG CYS A 23 8.545 -1.646 0.149 1.00 0.00 H new ATOM 78 N ASN A 24 5.641 -4.283 -3.112 1.00 0.00 N ATOM 79 CA ASN A 24 4.188 -4.306 -3.115 1.00 0.00 C ATOM 80 C ASN A 24 3.654 -3.739 -1.810 1.00 0.00 C ATOM 81 O ASN A 24 3.825 -4.331 -0.748 1.00 0.00 O ATOM 82 CB ASN A 24 3.660 -5.730 -3.338 1.00 0.00 C ATOM 83 CG ASN A 24 4.475 -6.782 -2.610 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.209 -7.107 -1.453 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.471 -7.327 -3.290 1.00 0.00 N ATOM 0 H ASN A 24 6.076 -5.177 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 24 3.837 -3.685 -3.939 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.624 -5.785 -3.004 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.662 -5.950 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.052 -8.045 -2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.658 -7.029 -4.247 1.00 0.00 H new ATOM 92 N HIS A 25 3.022 -2.579 -1.899 1.00 0.00 N ATOM 93 CA HIS A 25 2.475 -1.913 -0.725 1.00 0.00 C ATOM 94 C HIS A 25 1.125 -2.518 -0.386 1.00 0.00 C ATOM 95 O HIS A 25 0.190 -2.444 -1.181 1.00 0.00 O ATOM 96 CB HIS A 25 2.332 -0.405 -0.965 1.00 0.00 C ATOM 97 CG HIS A 25 3.617 0.273 -1.336 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.839 -0.351 -1.270 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.866 1.527 -1.783 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.783 0.486 -1.655 1.00 0.00 C ATOM 101 NE2 HIS A 25 5.222 1.636 -1.975 1.00 0.00 N ATOM 0 H HIS A 25 2.874 -2.077 -2.775 1.00 0.00 H new ATOM 0 HA HIS A 25 3.161 -2.057 0.110 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.603 -0.240 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.933 0.061 -0.064 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.132 2.300 -1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.839 0.266 -1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.712 2.466 -2.309 1.00 0.00 H new ATOM 110 N HIS A 26 1.040 -3.141 0.774 1.00 0.00 N ATOM 111 CA HIS A 26 -0.165 -3.857 1.175 1.00 0.00 C ATOM 112 C HIS A 26 -1.148 -2.936 1.878 1.00 0.00 C ATOM 113 O HIS A 26 -0.788 -2.228 2.821 1.00 0.00 O ATOM 114 CB HIS A 26 0.178 -5.030 2.104 1.00 0.00 C ATOM 115 CG HIS A 26 0.803 -6.205 1.415 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.388 -7.500 1.625 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.819 -6.278 0.527 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.120 -8.318 0.893 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.996 -7.601 0.216 1.00 0.00 N ATOM 0 H HIS A 26 1.793 -3.168 1.461 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.628 -4.239 0.265 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.857 -4.676 2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.733 -5.360 2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.387 -5.447 0.135 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.019 -9.393 0.855 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.691 -7.971 -0.433 1.00 0.00 H new ATOM 128 N LEU A 27 -2.388 -2.972 1.420 1.00 0.00 N ATOM 129 CA LEU A 27 -3.470 -2.262 2.075 1.00 0.00 C ATOM 130 C LEU A 27 -4.218 -3.261 2.943 1.00 0.00 C ATOM 131 O LEU A 27 -4.610 -4.338 2.476 1.00 0.00 O ATOM 132 CB LEU A 27 -4.409 -1.628 1.034 1.00 0.00 C ATOM 133 CG LEU A 27 -5.328 -0.494 1.535 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.336 -0.996 2.556 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.507 0.636 2.133 1.00 0.00 C ATOM 0 H LEU A 27 -2.670 -3.491 0.589 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.077 -1.452 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.800 -1.238 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.036 -2.415 0.616 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.879 -0.120 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.964 -0.168 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.959 -1.767 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.808 -1.413 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.173 1.426 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.924 0.257 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.833 1.037 1.375 1.00 0.00 H new ATOM 147 N LEU A 28 -4.390 -2.915 4.203 1.00 0.00 N ATOM 148 CA LEU A 28 -5.004 -3.809 5.158 1.00 0.00 C ATOM 149 C LEU A 28 -6.437 -3.391 5.441 1.00 0.00 C ATOM 150 O LEU A 28 -6.701 -2.271 5.881 1.00 0.00 O ATOM 151 CB LEU A 28 -4.196 -3.831 6.457 1.00 0.00 C ATOM 152 CG LEU A 28 -3.813 -5.221 6.959 1.00 0.00 C ATOM 153 CD1 LEU A 28 -5.042 -6.101 7.125 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.818 -5.862 6.010 1.00 0.00 C ATOM 0 H LEU A 28 -4.110 -2.013 4.589 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.015 -4.812 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.285 -3.251 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.772 -3.327 7.233 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.346 -5.116 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.739 -7.085 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.721 -5.645 7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.548 -6.205 6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.551 -6.853 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.265 -5.950 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.922 -5.244 5.950 1.00 0.00 H new ATOM 166 N TYR A 29 -7.352 -4.301 5.187 1.00 0.00 N ATOM 167 CA TYR A 29 -8.744 -4.084 5.507 1.00 0.00 C ATOM 168 C TYR A 29 -9.004 -4.687 6.872 1.00 0.00 C ATOM 169 O TYR A 29 -8.439 -5.728 7.200 1.00 0.00 O ATOM 170 CB TYR A 29 -9.644 -4.730 4.446 1.00 0.00 C ATOM 171 CG TYR A 29 -11.125 -4.641 4.749 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.814 -3.444 4.610 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.835 -5.759 5.171 1.00 0.00 C ATOM 174 CE1 TYR A 29 -13.167 -3.360 4.885 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.186 -5.684 5.448 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.848 -4.483 5.304 1.00 0.00 C ATOM 177 OH TYR A 29 -15.197 -4.404 5.574 1.00 0.00 O ATOM 0 H TYR A 29 -7.154 -5.204 4.757 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.970 -3.018 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.452 -4.254 3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.368 -5.779 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.284 -2.562 4.281 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.321 -6.702 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.687 -2.420 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.722 -6.562 5.776 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.526 -5.283 5.857 1.00 0.00 H new ATOM 187 N ASN A 30 -9.815 -4.015 7.672 1.00 0.00 N ATOM 188 CA ASN A 30 -10.116 -4.482 9.017 1.00 0.00 C ATOM 189 C ASN A 30 -10.649 -5.915 8.985 1.00 0.00 C ATOM 190 O ASN A 30 -11.804 -6.170 8.648 1.00 0.00 O ATOM 191 CB ASN A 30 -11.097 -3.527 9.719 1.00 0.00 C ATOM 192 CG ASN A 30 -12.415 -3.335 8.984 1.00 0.00 C ATOM 193 OD1 ASN A 30 -13.401 -4.016 9.259 1.00 0.00 O ATOM 194 ND2 ASN A 30 -12.439 -2.400 8.046 1.00 0.00 N ATOM 0 H ASN A 30 -10.278 -3.143 7.414 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.193 -4.487 9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.304 -3.908 10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.617 -2.556 9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.297 -2.224 7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.600 -1.856 7.847 1.00 0.00 H new ATOM 201 N GLY A 31 -9.770 -6.852 9.307 1.00 0.00 N ATOM 202 CA GLY A 31 -10.128 -8.249 9.262 1.00 0.00 C ATOM 203 C GLY A 31 -9.149 -9.070 8.442 1.00 0.00 C ATOM 204 O GLY A 31 -8.750 -10.159 8.863 1.00 0.00 O ATOM 0 H GLY A 31 -8.811 -6.665 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.169 -8.644 10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.128 -8.352 8.840 1.00 0.00 H new ATOM 208 N ARG A 32 -8.737 -8.545 7.288 1.00 0.00 N ATOM 209 CA ARG A 32 -7.885 -9.304 6.371 1.00 0.00 C ATOM 210 C ARG A 32 -7.319 -8.415 5.257 1.00 0.00 C ATOM 211 O ARG A 32 -7.902 -7.390 4.906 1.00 0.00 O ATOM 212 CB ARG A 32 -8.695 -10.452 5.755 1.00 0.00 C ATOM 213 CG ARG A 32 -7.850 -11.543 5.118 1.00 0.00 C ATOM 214 CD ARG A 32 -7.010 -12.266 6.158 1.00 0.00 C ATOM 215 NE ARG A 32 -6.287 -13.404 5.594 1.00 0.00 N ATOM 216 CZ ARG A 32 -5.434 -14.159 6.286 1.00 0.00 C ATOM 217 NH1 ARG A 32 -5.158 -13.869 7.552 1.00 0.00 N ATOM 218 NH2 ARG A 32 -4.850 -15.204 5.712 1.00 0.00 N ATOM 0 H ARG A 32 -8.976 -7.607 6.968 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.044 -9.701 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.319 -10.898 6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.367 -10.043 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.497 -12.257 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.199 -11.107 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.298 -11.567 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.655 -12.612 6.966 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.444 -13.634 4.613 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.599 -13.065 7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.505 -14.450 8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.054 -15.431 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.198 -15.780 6.244 1.00 0.00 H new ATOM 232 N HIS A 33 -6.157 -8.821 4.739 1.00 0.00 N ATOM 233 CA HIS A 33 -5.531 -8.222 3.556 1.00 0.00 C ATOM 234 C HIS A 33 -6.554 -7.841 2.479 1.00 0.00 C ATOM 235 O HIS A 33 -7.355 -8.667 2.039 1.00 0.00 O ATOM 236 CB HIS A 33 -4.505 -9.236 3.016 1.00 0.00 C ATOM 237 CG HIS A 33 -4.203 -9.149 1.542 1.00 0.00 C ATOM 238 ND1 HIS A 33 -4.468 -10.183 0.673 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.649 -8.167 0.792 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.093 -9.846 -0.543 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.594 -8.626 -0.504 1.00 0.00 N ATOM 0 H HIS A 33 -5.615 -9.588 5.136 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.043 -7.289 3.837 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.573 -9.107 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.867 -10.241 3.234 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.313 -7.203 1.145 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.179 -10.464 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.228 -8.108 -1.303 1.00 0.00 H new ATOM 250 N TRP A 34 -6.509 -6.577 2.054 1.00 0.00 N ATOM 251 CA TRP A 34 -7.413 -6.087 1.022 1.00 0.00 C ATOM 252 C TRP A 34 -6.765 -6.178 -0.357 1.00 0.00 C ATOM 253 O TRP A 34 -7.314 -6.796 -1.268 1.00 0.00 O ATOM 254 CB TRP A 34 -7.823 -4.640 1.312 1.00 0.00 C ATOM 255 CG TRP A 34 -8.854 -4.113 0.359 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.207 -4.240 0.470 1.00 0.00 C ATOM 257 CD2 TRP A 34 -8.617 -3.383 -0.854 1.00 0.00 C ATOM 258 NE1 TRP A 34 -10.829 -3.639 -0.597 1.00 0.00 N ATOM 259 CE2 TRP A 34 -9.873 -3.103 -1.423 1.00 0.00 C ATOM 260 CE3 TRP A 34 -7.465 -2.938 -1.510 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -10.007 -2.399 -2.619 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -7.599 -2.241 -2.695 1.00 0.00 C ATOM 263 CH2 TRP A 34 -8.861 -1.978 -3.240 1.00 0.00 C ATOM 0 H TRP A 34 -5.856 -5.879 2.410 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.303 -6.716 1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.212 -4.577 2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -6.939 -4.004 1.269 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.716 -4.741 1.280 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.837 -3.598 -0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.487 -3.136 -1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -10.980 -2.193 -3.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.715 -1.893 -3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -8.933 -1.432 -4.169 1.00 0.00 H new ATOM 274 N GLY A 35 -5.595 -5.563 -0.507 1.00 0.00 N ATOM 275 CA GLY A 35 -4.913 -5.565 -1.790 1.00 0.00 C ATOM 276 C GLY A 35 -3.487 -5.072 -1.672 1.00 0.00 C ATOM 277 O GLY A 35 -3.009 -4.831 -0.561 1.00 0.00 O ATOM 0 H GLY A 35 -5.107 -5.063 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.915 -6.575 -2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.458 -4.934 -2.492 1.00 0.00 H new ATOM 281 N THR A 36 -2.799 -4.936 -2.801 1.00 0.00 N ATOM 282 CA THR A 36 -1.433 -4.444 -2.798 1.00 0.00 C ATOM 283 C THR A 36 -1.085 -3.791 -4.139 1.00 0.00 C ATOM 284 O THR A 36 -1.608 -4.182 -5.185 1.00 0.00 O ATOM 285 CB THR A 36 -0.428 -5.575 -2.473 1.00 0.00 C ATOM 286 OG1 THR A 36 0.846 -5.015 -2.144 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.267 -6.541 -3.638 1.00 0.00 C ATOM 0 H THR A 36 -3.167 -5.160 -3.726 1.00 0.00 H new ATOM 0 HA THR A 36 -1.358 -3.689 -2.015 1.00 0.00 H new ATOM 0 HB THR A 36 -0.824 -6.131 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.174 -4.483 -2.899 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.447 -7.320 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.230 -6.996 -3.869 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.098 -6.000 -4.511 1.00 0.00 H new ATOM 295 N ILE A 37 -0.224 -2.779 -4.097 1.00 0.00 N ATOM 296 CA ILE A 37 0.238 -2.110 -5.302 1.00 0.00 C ATOM 297 C ILE A 37 1.759 -2.146 -5.350 1.00 0.00 C ATOM 298 O ILE A 37 2.426 -1.733 -4.397 1.00 0.00 O ATOM 299 CB ILE A 37 -0.238 -0.633 -5.387 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.751 -0.531 -5.618 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.507 0.118 -6.485 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.586 -0.773 -4.378 1.00 0.00 C ATOM 0 H ILE A 37 0.169 -2.404 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.191 -2.643 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.012 -0.172 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.981 0.460 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.040 -1.252 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.155 1.149 -6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.576 0.107 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.323 -0.364 -7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.643 -0.682 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.388 -1.774 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.329 -0.037 -3.617 1.00 0.00 H new ATOM 314 N ARG A 38 2.305 -2.641 -6.448 1.00 0.00 N ATOM 315 CA ARG A 38 3.745 -2.736 -6.605 1.00 0.00 C ATOM 316 C ARG A 38 4.313 -1.365 -6.953 1.00 0.00 C ATOM 317 O ARG A 38 4.344 -0.975 -8.119 1.00 0.00 O ATOM 318 CB ARG A 38 4.085 -3.737 -7.708 1.00 0.00 C ATOM 319 CG ARG A 38 5.513 -4.240 -7.664 1.00 0.00 C ATOM 320 CD ARG A 38 5.709 -5.284 -6.575 1.00 0.00 C ATOM 321 NE ARG A 38 4.801 -6.423 -6.737 1.00 0.00 N ATOM 322 CZ ARG A 38 5.136 -7.694 -6.505 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.386 -8.011 -6.187 1.00 0.00 N ATOM 324 NH2 ARG A 38 4.228 -8.655 -6.640 1.00 0.00 N ATOM 0 H ARG A 38 1.770 -2.984 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 38 4.186 -3.080 -5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.408 -4.588 -7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.905 -3.270 -8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.778 -4.668 -8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.189 -3.402 -7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.740 -5.637 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.545 -4.826 -5.600 1.00 0.00 H new ATOM 0 HE ARG A 38 3.849 -6.231 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.096 -7.281 -6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.636 -8.984 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.276 -8.421 -6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.483 -9.626 -6.463 1.00 0.00 H new ATOM 338 N LYS A 39 4.745 -0.628 -5.942 1.00 0.00 N ATOM 339 CA LYS A 39 5.246 0.719 -6.151 1.00 0.00 C ATOM 340 C LYS A 39 6.623 0.882 -5.518 1.00 0.00 C ATOM 341 O LYS A 39 6.909 0.309 -4.467 1.00 0.00 O ATOM 342 CB LYS A 39 4.264 1.742 -5.566 1.00 0.00 C ATOM 343 CG LYS A 39 4.603 3.181 -5.924 1.00 0.00 C ATOM 344 CD LYS A 39 4.520 3.417 -7.426 1.00 0.00 C ATOM 345 CE LYS A 39 3.079 3.487 -7.907 1.00 0.00 C ATOM 346 NZ LYS A 39 2.404 4.720 -7.419 1.00 0.00 N ATOM 0 H LYS A 39 4.758 -0.940 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 39 5.339 0.894 -7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.259 1.514 -5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.248 1.640 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.918 3.856 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.607 3.418 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.033 4.346 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.040 2.614 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.056 3.464 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.534 2.610 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.494 4.468 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.007 5.190 -6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.239 5.365 -8.218 1.00 0.00 H new ATOM 360 N LYS A 40 7.470 1.665 -6.170 1.00 0.00 N ATOM 361 CA LYS A 40 8.820 1.926 -5.688 1.00 0.00 C ATOM 362 C LYS A 40 8.778 2.812 -4.445 1.00 0.00 C ATOM 363 O LYS A 40 7.836 3.588 -4.260 1.00 0.00 O ATOM 364 CB LYS A 40 9.626 2.611 -6.795 1.00 0.00 C ATOM 365 CG LYS A 40 9.409 1.995 -8.167 1.00 0.00 C ATOM 366 CD LYS A 40 10.227 2.690 -9.239 1.00 0.00 C ATOM 367 CE LYS A 40 11.710 2.436 -9.054 1.00 0.00 C ATOM 368 NZ LYS A 40 12.495 2.846 -10.246 1.00 0.00 N ATOM 0 H LYS A 40 7.243 2.136 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 40 9.296 0.982 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.356 3.666 -6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.686 2.562 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.675 0.938 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.352 2.050 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.916 2.337 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.033 3.762 -9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.065 2.982 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.875 1.377 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.340 2.245 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.910 2.741 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.785 3.840 -10.146 1.00 0.00 H new ATOM 382 N ALA A 41 9.780 2.676 -3.583 1.00 0.00 N ATOM 383 CA ALA A 41 9.893 3.524 -2.402 1.00 0.00 C ATOM 384 C ALA A 41 10.045 4.983 -2.807 1.00 0.00 C ATOM 385 O ALA A 41 10.703 5.297 -3.797 1.00 0.00 O ATOM 386 CB ALA A 41 11.064 3.089 -1.538 1.00 0.00 C ATOM 0 H ALA A 41 10.525 1.987 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 41 8.979 3.419 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.130 3.735 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.916 2.058 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.987 3.162 -2.113 1.00 0.00 H new ATOM 392 N GLY A 42 9.418 5.865 -2.044 1.00 0.00 N ATOM 393 CA GLY A 42 9.445 7.281 -2.360 1.00 0.00 C ATOM 394 C GLY A 42 8.272 7.696 -3.224 1.00 0.00 C ATOM 395 O GLY A 42 7.824 8.841 -3.171 1.00 0.00 O ATOM 0 H GLY A 42 8.888 5.625 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.435 7.858 -1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.376 7.519 -2.875 1.00 0.00 H new ATOM 399 N TRP A 43 7.771 6.755 -4.009 1.00 0.00 N ATOM 400 CA TRP A 43 6.665 7.015 -4.914 1.00 0.00 C ATOM 401 C TRP A 43 5.338 6.878 -4.182 1.00 0.00 C ATOM 402 O TRP A 43 5.085 5.866 -3.521 1.00 0.00 O ATOM 403 CB TRP A 43 6.706 6.043 -6.094 1.00 0.00 C ATOM 404 CG TRP A 43 7.887 6.223 -7.001 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.207 6.102 -6.673 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.848 6.534 -8.396 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.989 6.333 -7.778 1.00 0.00 N ATOM 408 CE2 TRP A 43 9.178 6.598 -8.849 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.815 6.768 -9.307 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.501 6.887 -10.170 1.00 0.00 C ATOM 411 CZ3 TRP A 43 7.137 7.054 -10.619 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.471 7.111 -11.041 1.00 0.00 C ATOM 0 H TRP A 43 8.118 5.796 -4.036 1.00 0.00 H new ATOM 0 HA TRP A 43 6.759 8.034 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.710 5.023 -5.710 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.793 6.160 -6.678 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.581 5.860 -5.689 1.00 0.00 H new ATOM 0 HE1 TRP A 43 11.009 6.311 -7.798 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.783 6.726 -8.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.529 6.933 -10.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.347 7.237 -11.332 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.691 7.336 -12.074 1.00 0.00 H new ATOM 423 N ALA A 44 4.500 7.896 -4.299 1.00 0.00 N ATOM 424 CA ALA A 44 3.205 7.896 -3.644 1.00 0.00 C ATOM 425 C ALA A 44 2.260 6.917 -4.331 1.00 0.00 C ATOM 426 O ALA A 44 2.198 6.857 -5.560 1.00 0.00 O ATOM 427 CB ALA A 44 2.621 9.302 -3.622 1.00 0.00 C ATOM 0 H ALA A 44 4.696 8.735 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 44 3.334 7.569 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.650 9.285 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.293 9.967 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.502 9.662 -4.644 1.00 0.00 H new ATOM 433 N VAL A 45 1.550 6.132 -3.541 1.00 0.00 N ATOM 434 CA VAL A 45 0.671 5.110 -4.073 1.00 0.00 C ATOM 435 C VAL A 45 -0.766 5.333 -3.603 1.00 0.00 C ATOM 436 O VAL A 45 -1.002 5.752 -2.467 1.00 0.00 O ATOM 437 CB VAL A 45 1.164 3.701 -3.667 1.00 0.00 C ATOM 438 CG1 VAL A 45 1.259 3.555 -2.166 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.276 2.623 -4.251 1.00 0.00 C ATOM 0 H VAL A 45 1.566 6.185 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 45 0.688 5.179 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 45 2.166 3.580 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.608 2.552 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.960 4.291 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.277 3.716 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.646 1.643 -3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.743 2.754 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.284 2.695 -5.339 1.00 0.00 H new ATOM 449 N ARG A 46 -1.720 5.072 -4.488 1.00 0.00 N ATOM 450 CA ARG A 46 -3.118 5.300 -4.176 1.00 0.00 C ATOM 451 C ARG A 46 -3.748 4.044 -3.581 1.00 0.00 C ATOM 452 O ARG A 46 -3.421 2.925 -3.974 1.00 0.00 O ATOM 453 CB ARG A 46 -3.889 5.761 -5.433 1.00 0.00 C ATOM 454 CG ARG A 46 -4.625 4.657 -6.202 1.00 0.00 C ATOM 455 CD ARG A 46 -3.684 3.660 -6.870 1.00 0.00 C ATOM 456 NE ARG A 46 -2.874 4.264 -7.927 1.00 0.00 N ATOM 457 CZ ARG A 46 -2.005 3.581 -8.672 1.00 0.00 C ATOM 458 NH1 ARG A 46 -1.883 2.267 -8.518 1.00 0.00 N ATOM 459 NH2 ARG A 46 -1.285 4.206 -9.593 1.00 0.00 N ATOM 0 H ARG A 46 -1.548 4.704 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.179 6.094 -3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.615 6.517 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.186 6.244 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.283 4.123 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.259 5.113 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.026 3.228 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.268 2.841 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.980 5.263 -8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.455 1.779 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.217 1.746 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.396 5.210 -9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.620 3.683 -10.163 1.00 0.00 H new ATOM 473 N PHE A 47 -4.615 4.236 -2.606 1.00 0.00 N ATOM 474 CA PHE A 47 -5.409 3.151 -2.062 1.00 0.00 C ATOM 475 C PHE A 47 -6.865 3.578 -2.013 1.00 0.00 C ATOM 476 O PHE A 47 -7.176 4.694 -1.594 1.00 0.00 O ATOM 477 CB PHE A 47 -4.921 2.758 -0.670 1.00 0.00 C ATOM 478 CG PHE A 47 -3.538 2.171 -0.659 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.302 0.916 -1.198 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.479 2.864 -0.100 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.037 0.365 -1.180 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.210 2.315 -0.081 1.00 0.00 C ATOM 483 CZ PHE A 47 -0.990 1.065 -0.621 1.00 0.00 C ATOM 0 H PHE A 47 -4.788 5.142 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.305 2.278 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.938 3.638 -0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.616 2.036 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.118 0.362 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.645 3.843 0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.868 -0.614 -1.604 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.390 2.865 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.001 0.636 -0.606 1.00 0.00 H new ATOM 493 N TYR A 48 -7.750 2.700 -2.442 1.00 0.00 N ATOM 494 CA TYR A 48 -9.159 3.036 -2.572 1.00 0.00 C ATOM 495 C TYR A 48 -10.032 1.866 -2.151 1.00 0.00 C ATOM 496 O TYR A 48 -9.545 0.754 -1.966 1.00 0.00 O ATOM 497 CB TYR A 48 -9.466 3.422 -4.026 1.00 0.00 C ATOM 498 CG TYR A 48 -9.036 2.381 -5.038 1.00 0.00 C ATOM 499 CD1 TYR A 48 -9.860 1.307 -5.352 1.00 0.00 C ATOM 500 CD2 TYR A 48 -7.804 2.471 -5.673 1.00 0.00 C ATOM 501 CE1 TYR A 48 -9.469 0.352 -6.268 1.00 0.00 C ATOM 502 CE2 TYR A 48 -7.406 1.520 -6.591 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.241 0.463 -6.885 1.00 0.00 C ATOM 504 OH TYR A 48 -7.843 -0.489 -7.795 1.00 0.00 O ATOM 0 H TYR A 48 -7.519 1.743 -2.708 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.378 3.880 -1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.538 3.594 -4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.969 4.365 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.823 1.218 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.147 3.298 -5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.121 -0.477 -6.500 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.445 1.604 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.954 -0.262 -8.138 1.00 0.00 H new ATOM 514 N GLU A 49 -11.316 2.134 -1.987 1.00 0.00 N ATOM 515 CA GLU A 49 -12.278 1.094 -1.685 1.00 0.00 C ATOM 516 C GLU A 49 -13.143 0.832 -2.912 1.00 0.00 C ATOM 517 O GLU A 49 -13.728 1.755 -3.481 1.00 0.00 O ATOM 518 CB GLU A 49 -13.153 1.489 -0.482 1.00 0.00 C ATOM 519 CG GLU A 49 -14.007 2.724 -0.722 1.00 0.00 C ATOM 520 CD GLU A 49 -14.796 3.151 0.503 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.719 2.417 0.908 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.514 4.236 1.054 1.00 0.00 O ATOM 0 H GLU A 49 -11.716 3.070 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.742 0.182 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.804 0.652 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.510 1.666 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.365 3.546 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.698 2.527 -1.541 1.00 0.00 H new ATOM 529 N GLU A 50 -13.192 -0.416 -3.336 1.00 0.00 N ATOM 530 CA GLU A 50 -14.040 -0.803 -4.447 1.00 0.00 C ATOM 531 C GLU A 50 -15.079 -1.802 -3.962 1.00 0.00 C ATOM 532 O GLU A 50 -14.744 -2.854 -3.413 1.00 0.00 O ATOM 533 CB GLU A 50 -13.215 -1.366 -5.614 1.00 0.00 C ATOM 534 CG GLU A 50 -12.367 -2.579 -5.265 1.00 0.00 C ATOM 535 CD GLU A 50 -11.608 -3.112 -6.462 1.00 0.00 C ATOM 536 OE1 GLU A 50 -12.244 -3.705 -7.358 1.00 0.00 O ATOM 537 OE2 GLU A 50 -10.375 -2.942 -6.518 1.00 0.00 O ATOM 0 H GLU A 50 -12.654 -1.180 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.552 0.081 -4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.893 -1.634 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.562 -0.580 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.661 -2.312 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.008 -3.365 -4.864 1.00 0.00 H new ATOM 544 N LYS A 51 -16.339 -1.453 -4.138 1.00 0.00 N ATOM 545 CA LYS A 51 -17.433 -2.236 -3.594 1.00 0.00 C ATOM 546 C LYS A 51 -18.464 -2.523 -4.676 1.00 0.00 C ATOM 547 O LYS A 51 -18.625 -1.734 -5.607 1.00 0.00 O ATOM 548 CB LYS A 51 -18.070 -1.471 -2.431 1.00 0.00 C ATOM 549 CG LYS A 51 -17.104 -1.211 -1.282 1.00 0.00 C ATOM 550 CD LYS A 51 -17.669 -0.227 -0.273 1.00 0.00 C ATOM 551 CE LYS A 51 -17.909 1.137 -0.900 1.00 0.00 C ATOM 552 NZ LYS A 51 -18.209 2.171 0.121 1.00 0.00 N ATOM 0 H LYS A 51 -16.632 -0.626 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.052 -3.190 -3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.453 -0.519 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.924 -2.036 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.875 -2.152 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.165 -0.824 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.605 -0.614 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.979 -0.127 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.029 1.434 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.738 1.072 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.299 3.099 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.100 1.935 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.438 2.205 0.818 1.00 0.00 H new ATOM 566 N PRO A 52 -19.162 -3.664 -4.570 1.00 0.00 N ATOM 567 CA PRO A 52 -20.168 -4.093 -5.553 1.00 0.00 C ATOM 568 C PRO A 52 -21.211 -3.016 -5.838 1.00 0.00 C ATOM 569 O PRO A 52 -21.937 -2.577 -4.940 1.00 0.00 O ATOM 570 CB PRO A 52 -20.824 -5.318 -4.902 1.00 0.00 C ATOM 571 CG PRO A 52 -20.364 -5.318 -3.482 1.00 0.00 C ATOM 572 CD PRO A 52 -19.030 -4.639 -3.480 1.00 0.00 C ATOM 0 HA PRO A 52 -19.712 -4.306 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.911 -5.258 -4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.528 -6.236 -5.409 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.071 -4.790 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.285 -6.335 -3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.824 -4.154 -2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -18.217 -5.342 -3.662 1.00 0.00 H new ATOM 580 N GLY A 53 -21.253 -2.575 -7.091 1.00 0.00 N ATOM 581 CA GLY A 53 -22.222 -1.581 -7.512 1.00 0.00 C ATOM 582 C GLY A 53 -21.782 -0.161 -7.206 1.00 0.00 C ATOM 583 O GLY A 53 -22.347 0.799 -7.729 1.00 0.00 O ATOM 0 H GLY A 53 -20.625 -2.893 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.394 -1.680 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.173 -1.776 -7.017 1.00 0.00 H new ATOM 587 N GLN A 54 -20.757 -0.029 -6.380 1.00 0.00 N ATOM 588 CA GLN A 54 -20.303 1.273 -5.915 1.00 0.00 C ATOM 589 C GLN A 54 -18.978 1.667 -6.559 1.00 0.00 C ATOM 590 O GLN A 54 -18.103 0.825 -6.777 1.00 0.00 O ATOM 591 CB GLN A 54 -20.154 1.246 -4.397 1.00 0.00 C ATOM 592 CG GLN A 54 -21.468 1.021 -3.676 1.00 0.00 C ATOM 593 CD GLN A 54 -21.285 0.778 -2.194 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.237 1.713 -1.396 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.200 -0.484 -1.815 1.00 0.00 N ATOM 0 H GLN A 54 -20.219 -0.815 -6.015 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.047 2.016 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.455 0.457 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.720 2.188 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.111 1.889 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.980 0.167 -4.120 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.244 -1.229 -2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.090 -0.714 -0.827 1.00 0.00 H new ATOM 604 N PRO A 55 -18.824 2.961 -6.877 1.00 0.00 N ATOM 605 CA PRO A 55 -17.580 3.500 -7.430 1.00 0.00 C ATOM 606 C PRO A 55 -16.458 3.495 -6.396 1.00 0.00 C ATOM 607 O PRO A 55 -16.711 3.518 -5.190 1.00 0.00 O ATOM 608 CB PRO A 55 -17.949 4.930 -7.816 1.00 0.00 C ATOM 609 CG PRO A 55 -19.089 5.283 -6.926 1.00 0.00 C ATOM 610 CD PRO A 55 -19.853 4.007 -6.714 1.00 0.00 C ATOM 0 HA PRO A 55 -17.208 2.910 -8.268 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -17.108 5.608 -7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.232 4.995 -8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -18.734 5.688 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -19.720 6.045 -7.383 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.309 3.971 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -20.658 3.895 -7.440 1.00 0.00 H new ATOM 618 N LYS A 56 -15.226 3.470 -6.876 1.00 0.00 N ATOM 619 CA LYS A 56 -14.070 3.381 -6.007 1.00 0.00 C ATOM 620 C LYS A 56 -13.686 4.760 -5.488 1.00 0.00 C ATOM 621 O LYS A 56 -13.673 5.739 -6.236 1.00 0.00 O ATOM 622 CB LYS A 56 -12.886 2.709 -6.727 1.00 0.00 C ATOM 623 CG LYS A 56 -12.357 3.446 -7.959 1.00 0.00 C ATOM 624 CD LYS A 56 -13.333 3.418 -9.126 1.00 0.00 C ATOM 625 CE LYS A 56 -12.658 3.810 -10.431 1.00 0.00 C ATOM 626 NZ LYS A 56 -11.824 2.705 -10.976 1.00 0.00 N ATOM 0 H LYS A 56 -15.002 3.511 -7.870 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.332 2.757 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.068 2.595 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.189 1.706 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.144 4.482 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.414 2.996 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.758 2.419 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.161 4.098 -8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.416 4.088 -11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.035 4.689 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.491 2.959 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.006 2.548 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.392 1.835 -11.028 1.00 0.00 H new ATOM 640 N ARG A 57 -13.390 4.824 -4.203 1.00 0.00 N ATOM 641 CA ARG A 57 -13.069 6.078 -3.539 1.00 0.00 C ATOM 642 C ARG A 57 -11.789 5.937 -2.733 1.00 0.00 C ATOM 643 O ARG A 57 -11.526 4.879 -2.165 1.00 0.00 O ATOM 644 CB ARG A 57 -14.218 6.497 -2.625 1.00 0.00 C ATOM 645 CG ARG A 57 -13.913 7.736 -1.801 1.00 0.00 C ATOM 646 CD ARG A 57 -15.114 8.158 -0.985 1.00 0.00 C ATOM 647 NE ARG A 57 -14.827 9.304 -0.129 1.00 0.00 N ATOM 648 CZ ARG A 57 -15.408 9.507 1.049 1.00 0.00 C ATOM 649 NH1 ARG A 57 -16.249 8.605 1.537 1.00 0.00 N ATOM 650 NH2 ARG A 57 -15.123 10.597 1.749 1.00 0.00 N ATOM 0 H ARG A 57 -13.365 4.010 -3.589 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.922 6.846 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.105 6.682 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.457 5.673 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.071 7.537 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.614 8.550 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.937 8.405 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.444 7.321 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.142 9.987 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.450 7.756 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.695 8.760 2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.458 11.279 1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -15.569 10.753 2.653 1.00 0.00 H new ATOM 664 N LEU A 58 -10.997 7.003 -2.697 1.00 0.00 N ATOM 665 CA LEU A 58 -9.722 6.995 -1.993 1.00 0.00 C ATOM 666 C LEU A 58 -9.907 6.715 -0.510 1.00 0.00 C ATOM 667 O LEU A 58 -10.742 7.332 0.154 1.00 0.00 O ATOM 668 CB LEU A 58 -8.995 8.326 -2.180 1.00 0.00 C ATOM 669 CG LEU A 58 -8.131 8.427 -3.436 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.510 9.809 -3.551 1.00 0.00 C ATOM 671 CD2 LEU A 58 -7.052 7.354 -3.416 1.00 0.00 C ATOM 0 H LEU A 58 -11.219 7.889 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.119 6.194 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.735 9.126 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.363 8.502 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.765 8.268 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.899 9.859 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.299 10.559 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.886 10.001 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.442 7.435 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.422 7.488 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.519 6.369 -3.381 1.00 0.00 H new ATOM 683 N VAL A 59 -9.125 5.777 -0.002 1.00 0.00 N ATOM 684 CA VAL A 59 -9.194 5.408 1.404 1.00 0.00 C ATOM 685 C VAL A 59 -7.883 5.705 2.102 1.00 0.00 C ATOM 686 O VAL A 59 -7.839 5.803 3.326 1.00 0.00 O ATOM 687 CB VAL A 59 -9.543 3.921 1.606 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.891 3.611 0.995 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.464 3.018 1.029 1.00 0.00 C ATOM 0 H VAL A 59 -8.434 5.256 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.993 6.008 1.840 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.595 3.726 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.125 2.557 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.656 4.224 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.865 3.828 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.739 1.975 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.363 3.209 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.515 3.222 1.525 1.00 0.00 H new ATOM 699 N ALA A 60 -6.818 5.832 1.316 1.00 0.00 N ATOM 700 CA ALA A 60 -5.515 6.182 1.844 1.00 0.00 C ATOM 701 C ALA A 60 -4.565 6.576 0.735 1.00 0.00 C ATOM 702 O ALA A 60 -4.527 5.956 -0.329 1.00 0.00 O ATOM 703 CB ALA A 60 -4.926 5.033 2.643 1.00 0.00 C ATOM 0 H ALA A 60 -6.839 5.696 0.305 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.650 7.037 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.948 5.321 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.587 4.792 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.819 4.160 2.000 1.00 0.00 H new ATOM 709 N ILE A 61 -3.811 7.621 0.981 1.00 0.00 N ATOM 710 CA ILE A 61 -2.713 7.973 0.108 1.00 0.00 C ATOM 711 C ILE A 61 -1.432 7.682 0.860 1.00 0.00 C ATOM 712 O ILE A 61 -1.111 8.357 1.837 1.00 0.00 O ATOM 713 CB ILE A 61 -2.733 9.456 -0.338 1.00 0.00 C ATOM 714 CG1 ILE A 61 -4.047 9.803 -1.054 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.548 9.735 -1.254 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.202 10.120 -0.125 1.00 0.00 C ATOM 0 H ILE A 61 -3.937 8.244 1.779 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.796 7.386 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.659 10.082 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.876 10.659 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.330 8.967 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.567 10.780 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.620 9.532 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.609 9.094 -2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.089 10.353 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.405 9.258 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.944 10.977 0.497 1.00 0.00 H new ATOM 728 N CYS A 62 -0.709 6.676 0.422 1.00 0.00 N ATOM 729 CA CYS A 62 0.384 6.160 1.218 1.00 0.00 C ATOM 730 C CYS A 62 1.643 6.035 0.388 1.00 0.00 C ATOM 731 O CYS A 62 1.610 6.183 -0.832 1.00 0.00 O ATOM 732 CB CYS A 62 0.000 4.800 1.812 1.00 0.00 C ATOM 733 SG CYS A 62 0.949 4.337 3.292 1.00 0.00 S ATOM 0 H CYS A 62 -0.854 6.203 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 62 0.582 6.860 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.060 4.813 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.138 4.032 1.051 1.00 0.00 H new ATOM 738 N LYS A 63 2.752 5.808 1.066 1.00 0.00 N ATOM 739 CA LYS A 63 4.025 5.540 0.425 1.00 0.00 C ATOM 740 C LYS A 63 5.058 5.190 1.474 1.00 0.00 C ATOM 741 O LYS A 63 4.851 5.426 2.666 1.00 0.00 O ATOM 742 CB LYS A 63 4.488 6.726 -0.420 1.00 0.00 C ATOM 743 CG LYS A 63 4.391 8.061 0.284 1.00 0.00 C ATOM 744 CD LYS A 63 4.695 9.188 -0.678 1.00 0.00 C ATOM 745 CE LYS A 63 4.505 10.547 -0.031 1.00 0.00 C ATOM 746 NZ LYS A 63 5.545 10.821 0.994 1.00 0.00 N ATOM 0 H LYS A 63 2.795 5.804 2.085 1.00 0.00 H new ATOM 0 HA LYS A 63 3.900 4.694 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.522 6.561 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.891 6.764 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.391 8.189 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.089 8.090 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.721 9.095 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.046 9.107 -1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.537 11.322 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.519 10.595 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.411 11.779 1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.465 10.126 1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.487 10.750 0.560 1.00 0.00 H new ATOM 760 N ASN A 64 6.153 4.609 1.031 1.00 0.00 N ATOM 761 CA ASN A 64 7.184 4.139 1.937 1.00 0.00 C ATOM 762 C ASN A 64 7.954 5.313 2.521 1.00 0.00 C ATOM 763 O ASN A 64 8.352 6.234 1.806 1.00 0.00 O ATOM 764 CB ASN A 64 8.131 3.186 1.209 1.00 0.00 C ATOM 765 CG ASN A 64 9.250 2.690 2.096 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.096 1.714 2.826 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.390 3.354 2.032 1.00 0.00 N ATOM 0 H ASN A 64 6.354 4.450 0.044 1.00 0.00 H new ATOM 0 HA ASN A 64 6.709 3.599 2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.565 2.334 0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.556 3.693 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.184 3.061 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.477 4.160 1.413 1.00 0.00 H new ATOM 774 N ALA A 65 8.133 5.242 3.842 1.00 0.00 N ATOM 775 CA ALA A 65 8.702 6.316 4.656 1.00 0.00 C ATOM 776 C ALA A 65 9.949 6.933 4.045 1.00 0.00 C ATOM 777 O ALA A 65 10.128 8.148 4.086 1.00 0.00 O ATOM 778 CB ALA A 65 9.028 5.783 6.038 1.00 0.00 C ATOM 0 H ALA A 65 7.880 4.417 4.387 1.00 0.00 H new ATOM 0 HA ALA A 65 7.952 7.105 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.452 6.582 6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.117 5.413 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.749 4.970 5.954 1.00 0.00 H new ATOM 784 N SER A 66 10.812 6.092 3.508 1.00 0.00 N ATOM 785 CA SER A 66 12.030 6.559 2.878 1.00 0.00 C ATOM 786 C SER A 66 11.879 6.539 1.362 1.00 0.00 C ATOM 787 O SER A 66 11.314 5.601 0.796 1.00 0.00 O ATOM 788 CB SER A 66 13.213 5.685 3.304 1.00 0.00 C ATOM 789 OG SER A 66 14.416 6.089 2.665 1.00 0.00 O ATOM 0 H SER A 66 10.691 5.079 3.496 1.00 0.00 H new ATOM 0 HA SER A 66 12.219 7.584 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.338 5.742 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.003 4.643 3.061 1.00 0.00 H new ATOM 0 HG SER A 66 15.152 5.513 2.959 1.00 0.00 H new ATOM 795 N PRO A 67 12.370 7.586 0.687 1.00 0.00 N ATOM 796 CA PRO A 67 12.395 7.641 -0.773 1.00 0.00 C ATOM 797 C PRO A 67 13.502 6.766 -1.354 1.00 0.00 C ATOM 798 O PRO A 67 13.704 6.720 -2.569 1.00 0.00 O ATOM 799 CB PRO A 67 12.671 9.115 -1.063 1.00 0.00 C ATOM 800 CG PRO A 67 13.444 9.590 0.117 1.00 0.00 C ATOM 801 CD PRO A 67 12.924 8.812 1.297 1.00 0.00 C ATOM 0 HA PRO A 67 11.471 7.273 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.239 9.238 -1.985 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.744 9.676 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.512 9.420 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.309 10.661 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.718 8.583 2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.161 9.370 1.840 1.00 0.00 H new ATOM 809 N VAL A 68 14.230 6.087 -0.475 1.00 0.00 N ATOM 810 CA VAL A 68 15.304 5.204 -0.894 1.00 0.00 C ATOM 811 C VAL A 68 15.020 3.769 -0.456 1.00 0.00 C ATOM 812 O VAL A 68 14.554 2.952 -1.246 1.00 0.00 O ATOM 813 CB VAL A 68 16.670 5.644 -0.327 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.795 4.971 -1.094 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.822 7.159 -0.371 1.00 0.00 C ATOM 0 H VAL A 68 14.093 6.134 0.535 1.00 0.00 H new ATOM 0 HA VAL A 68 15.351 5.258 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 68 16.722 5.335 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.754 5.288 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.702 3.889 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.737 5.252 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.794 7.439 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.747 7.502 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.034 7.621 0.223 1.00 0.00 H new ATOM 825 N HIS A 69 15.265 3.477 0.815 1.00 0.00 N ATOM 826 CA HIS A 69 15.124 2.112 1.321 1.00 0.00 C ATOM 827 C HIS A 69 13.703 1.897 1.820 1.00 0.00 C ATOM 828 O HIS A 69 12.991 2.860 2.087 1.00 0.00 O ATOM 829 CB HIS A 69 16.105 1.843 2.469 1.00 0.00 C ATOM 830 CG HIS A 69 17.516 2.258 2.184 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.453 1.422 1.622 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.149 3.438 2.390 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.597 2.068 1.495 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.440 3.295 1.951 1.00 0.00 N ATOM 0 H HIS A 69 15.561 4.160 1.513 1.00 0.00 H new ATOM 0 HA HIS A 69 15.345 1.424 0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.757 2.367 3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.092 0.778 2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.716 4.328 2.821 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.509 1.660 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.159 4.018 1.973 1.00 0.00 H new ATOM 843 N CYS A 70 13.299 0.647 1.978 1.00 0.00 N ATOM 844 CA CYS A 70 11.945 0.348 2.410 1.00 0.00 C ATOM 845 C CYS A 70 11.909 0.096 3.913 1.00 0.00 C ATOM 846 O CYS A 70 12.694 -0.692 4.445 1.00 0.00 O ATOM 847 CB CYS A 70 11.400 -0.868 1.657 1.00 0.00 C ATOM 848 SG CYS A 70 9.644 -1.194 1.943 1.00 0.00 S ATOM 0 H CYS A 70 13.885 -0.171 1.815 1.00 0.00 H new ATOM 0 HA CYS A 70 11.314 1.208 2.186 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.561 -0.722 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.973 -1.748 1.948 1.00 0.00 H new ATOM 0 HG CYS A 70 9.062 -0.107 2.355 1.00 0.00 H new ATOM 854 N ASN A 71 10.997 0.787 4.588 1.00 0.00 N ATOM 855 CA ASN A 71 10.853 0.678 6.036 1.00 0.00 C ATOM 856 C ASN A 71 9.416 0.320 6.389 1.00 0.00 C ATOM 857 O ASN A 71 9.084 -0.841 6.617 1.00 0.00 O ATOM 858 CB ASN A 71 11.209 2.000 6.734 1.00 0.00 C ATOM 859 CG ASN A 71 12.618 2.486 6.459 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.537 1.701 6.247 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.795 3.799 6.481 1.00 0.00 N ATOM 0 H ASN A 71 10.341 1.434 4.151 1.00 0.00 H new ATOM 0 HA ASN A 71 11.536 -0.101 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.503 2.767 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.083 1.876 7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.722 4.191 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.004 4.417 6.661 1.00 0.00 H new ATOM 868 N TYR A 72 8.569 1.343 6.413 1.00 0.00 N ATOM 869 CA TYR A 72 7.161 1.189 6.750 1.00 0.00 C ATOM 870 C TYR A 72 6.335 2.072 5.825 1.00 0.00 C ATOM 871 O TYR A 72 6.893 2.849 5.042 1.00 0.00 O ATOM 872 CB TYR A 72 6.903 1.597 8.207 1.00 0.00 C ATOM 873 CG TYR A 72 7.796 0.906 9.219 1.00 0.00 C ATOM 874 CD1 TYR A 72 7.585 -0.419 9.578 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.855 1.584 9.813 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.402 -1.051 10.500 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.675 0.960 10.735 1.00 0.00 C ATOM 878 CZ TYR A 72 9.445 -0.356 11.076 1.00 0.00 C ATOM 879 OH TYR A 72 10.262 -0.977 11.996 1.00 0.00 O ATOM 0 H TYR A 72 8.841 2.303 6.199 1.00 0.00 H new ATOM 0 HA TYR A 72 6.879 0.143 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.037 2.675 8.299 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.863 1.383 8.453 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.769 -0.966 9.130 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.040 2.615 9.550 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.224 -2.082 10.767 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.493 1.502 11.187 1.00 0.00 H new ATOM 0 HH TYR A 72 10.947 -0.347 12.303 1.00 0.00 H new ATOM 889 N LEU A 73 5.019 1.972 5.926 1.00 0.00 N ATOM 890 CA LEU A 73 4.132 2.769 5.092 1.00 0.00 C ATOM 891 C LEU A 73 3.534 3.923 5.885 1.00 0.00 C ATOM 892 O LEU A 73 2.867 3.711 6.899 1.00 0.00 O ATOM 893 CB LEU A 73 3.002 1.915 4.505 1.00 0.00 C ATOM 894 CG LEU A 73 3.405 0.949 3.390 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.166 0.319 2.772 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.221 1.669 2.329 1.00 0.00 C ATOM 0 H LEU A 73 4.541 1.348 6.576 1.00 0.00 H new ATOM 0 HA LEU A 73 4.731 3.168 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.551 1.339 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.231 2.582 4.120 1.00 0.00 H new ATOM 0 HG LEU A 73 4.023 0.160 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.464 -0.367 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.616 -0.228 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.530 1.100 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.499 0.966 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.628 2.476 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.123 2.082 2.781 1.00 0.00 H new ATOM 908 N LYS A 74 3.791 5.138 5.425 1.00 0.00 N ATOM 909 CA LYS A 74 3.216 6.329 6.033 1.00 0.00 C ATOM 910 C LYS A 74 2.129 6.886 5.128 1.00 0.00 C ATOM 911 O LYS A 74 2.411 7.386 4.034 1.00 0.00 O ATOM 912 CB LYS A 74 4.291 7.388 6.296 1.00 0.00 C ATOM 913 CG LYS A 74 4.982 7.247 7.647 1.00 0.00 C ATOM 914 CD LYS A 74 5.714 5.920 7.791 1.00 0.00 C ATOM 915 CE LYS A 74 6.314 5.763 9.181 1.00 0.00 C ATOM 916 NZ LYS A 74 5.271 5.704 10.242 1.00 0.00 N ATOM 0 H LYS A 74 4.398 5.326 4.627 1.00 0.00 H new ATOM 0 HA LYS A 74 2.780 6.055 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.042 7.332 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.836 8.376 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.691 8.065 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.241 7.338 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.024 5.099 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.504 5.856 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.915 4.854 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.986 6.598 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.700 5.380 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.861 6.650 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.523 5.041 9.957 1.00 0.00 H new ATOM 930 N CYS A 75 0.888 6.776 5.575 1.00 0.00 N ATOM 931 CA CYS A 75 -0.248 7.132 4.745 1.00 0.00 C ATOM 932 C CYS A 75 -0.970 8.359 5.289 1.00 0.00 C ATOM 933 O CYS A 75 -0.990 8.605 6.496 1.00 0.00 O ATOM 934 CB CYS A 75 -1.229 5.962 4.683 1.00 0.00 C ATOM 935 SG CYS A 75 -0.446 4.316 4.768 1.00 0.00 S ATOM 0 H CYS A 75 0.644 6.443 6.508 1.00 0.00 H new ATOM 0 HA CYS A 75 0.126 7.363 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.940 6.056 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.801 6.032 3.757 1.00 0.00 H new ATOM 940 N THR A 76 -1.563 9.122 4.389 1.00 0.00 N ATOM 941 CA THR A 76 -2.419 10.224 4.769 1.00 0.00 C ATOM 942 C THR A 76 -3.852 9.882 4.379 1.00 0.00 C ATOM 943 O THR A 76 -4.067 9.139 3.416 1.00 0.00 O ATOM 944 CB THR A 76 -1.988 11.551 4.105 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.723 12.649 4.666 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.214 11.512 2.603 1.00 0.00 C ATOM 0 H THR A 76 -1.464 8.994 3.382 1.00 0.00 H new ATOM 0 HA THR A 76 -2.340 10.369 5.846 1.00 0.00 H new ATOM 0 HB THR A 76 -0.923 11.686 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.440 13.484 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.902 12.459 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.631 10.700 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.272 11.349 2.398 1.00 0.00 H new ATOM 954 N ASN A 77 -4.812 10.415 5.127 1.00 0.00 N ATOM 955 CA ASN A 77 -6.225 10.086 4.944 1.00 0.00 C ATOM 956 C ASN A 77 -6.454 8.595 5.141 1.00 0.00 C ATOM 957 O ASN A 77 -6.338 7.814 4.206 1.00 0.00 O ATOM 958 CB ASN A 77 -6.727 10.516 3.560 1.00 0.00 C ATOM 959 CG ASN A 77 -8.212 10.253 3.373 1.00 0.00 C ATOM 960 OD1 ASN A 77 -9.050 11.080 3.733 1.00 0.00 O ATOM 961 ND2 ASN A 77 -8.551 9.105 2.811 1.00 0.00 N ATOM 0 H ASN A 77 -4.636 11.085 5.875 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.791 10.637 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.529 11.578 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.167 9.983 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.535 8.881 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.829 8.444 2.525 1.00 0.00 H new ATOM 968 N LEU A 78 -6.750 8.208 6.367 1.00 0.00 N ATOM 969 CA LEU A 78 -7.061 6.819 6.673 1.00 0.00 C ATOM 970 C LEU A 78 -8.564 6.659 6.842 1.00 0.00 C ATOM 971 O LEU A 78 -9.161 7.250 7.746 1.00 0.00 O ATOM 972 CB LEU A 78 -6.334 6.346 7.942 1.00 0.00 C ATOM 973 CG LEU A 78 -4.820 6.116 7.811 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.515 5.194 6.640 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.071 7.435 7.675 1.00 0.00 C ATOM 0 H LEU A 78 -6.782 8.835 7.171 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.717 6.201 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.502 7.083 8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.794 5.415 8.274 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.474 5.632 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.438 5.045 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.005 4.233 6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.884 5.643 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.003 7.239 7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.420 7.962 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.254 8.050 8.556 1.00 0.00 H new ATOM 987 N ALA A 79 -9.177 5.859 5.980 1.00 0.00 N ATOM 988 CA ALA A 79 -10.626 5.712 5.982 1.00 0.00 C ATOM 989 C ALA A 79 -11.078 4.677 7.008 1.00 0.00 C ATOM 990 O ALA A 79 -11.668 3.653 6.660 1.00 0.00 O ATOM 991 CB ALA A 79 -11.133 5.363 4.587 1.00 0.00 C ATOM 0 H ALA A 79 -8.695 5.304 5.273 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.061 6.669 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.218 5.258 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.860 6.157 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.684 4.425 4.261 1.00 0.00 H new ATOM 997 N ALA A 80 -10.779 4.965 8.272 1.00 0.00 N ATOM 998 CA ALA A 80 -11.202 4.148 9.410 1.00 0.00 C ATOM 999 C ALA A 80 -10.698 2.710 9.309 1.00 0.00 C ATOM 1000 O ALA A 80 -9.593 2.399 9.754 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.716 4.175 9.566 1.00 0.00 C ATOM 0 H ALA A 80 -10.230 5.782 8.540 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.751 4.587 10.300 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.005 3.560 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.047 5.201 9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.182 3.783 8.662 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.502 1.841 8.707 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.139 0.442 8.600 1.00 0.00 C ATOM 1009 C GLY A 81 -10.284 0.159 7.383 1.00 0.00 C ATOM 1010 O GLY A 81 -9.992 -0.998 7.074 1.00 0.00 O ATOM 0 H GLY A 81 -12.401 2.082 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.600 0.140 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.045 -0.163 8.553 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.912 1.220 6.679 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.024 1.117 5.536 1.00 0.00 C ATOM 1016 C PHE A 82 -7.708 1.825 5.829 1.00 0.00 C ATOM 1017 O PHE A 82 -7.655 3.057 5.915 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.664 1.736 4.298 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.926 1.061 3.842 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.879 -0.011 2.965 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.160 1.508 4.281 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -12.042 -0.625 2.535 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.325 0.901 3.855 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.267 -0.166 2.982 1.00 0.00 C ATOM 0 H PHE A 82 -10.218 2.171 6.886 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.836 0.060 5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.882 2.784 4.503 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.941 1.715 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.924 -0.371 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.213 2.342 4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.993 -1.460 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.281 1.261 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.177 -0.642 2.648 1.00 0.00 H new ATOM 1034 N SER A 83 -6.660 1.042 6.005 1.00 0.00 N ATOM 1035 CA SER A 83 -5.327 1.572 6.245 1.00 0.00 C ATOM 1036 C SER A 83 -4.299 0.637 5.628 1.00 0.00 C ATOM 1037 O SER A 83 -4.624 -0.486 5.261 1.00 0.00 O ATOM 1038 CB SER A 83 -5.072 1.715 7.744 1.00 0.00 C ATOM 1039 OG SER A 83 -6.066 2.523 8.358 1.00 0.00 O ATOM 0 H SER A 83 -6.706 0.023 5.986 1.00 0.00 H new ATOM 0 HA SER A 83 -5.245 2.558 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.062 0.730 8.210 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.089 2.156 7.908 1.00 0.00 H new ATOM 0 HG SER A 83 -5.880 2.597 9.317 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.068 1.089 5.509 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.035 0.281 4.886 1.00 0.00 C ATOM 1047 C ALA A 84 -1.167 -0.376 5.947 1.00 0.00 C ATOM 1048 O ALA A 84 -1.025 0.146 7.055 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.189 1.125 3.951 1.00 0.00 C ATOM 0 H ALA A 84 -2.757 2.005 5.832 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.515 -0.502 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.420 0.502 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.822 1.551 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.716 1.929 4.514 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.573 -1.505 5.594 1.00 0.00 N ATOM 1056 CA GLY A 85 0.119 -2.318 6.575 1.00 0.00 C ATOM 1057 C GLY A 85 1.626 -2.308 6.413 1.00 0.00 C ATOM 1058 O GLY A 85 2.347 -1.845 7.295 1.00 0.00 O ATOM 0 H GLY A 85 -0.557 -1.875 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.134 -1.962 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.240 -3.345 6.503 1.00 0.00 H new ATOM 1062 N THR A 86 2.102 -2.823 5.288 1.00 0.00 N ATOM 1063 CA THR A 86 3.531 -2.955 5.040 1.00 0.00 C ATOM 1064 C THR A 86 3.755 -3.486 3.622 1.00 0.00 C ATOM 1065 O THR A 86 2.814 -3.541 2.829 1.00 0.00 O ATOM 1066 CB THR A 86 4.183 -3.904 6.083 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.609 -3.907 5.939 1.00 0.00 O ATOM 1068 CG2 THR A 86 3.651 -5.327 5.947 1.00 0.00 C ATOM 0 H THR A 86 1.513 -3.159 4.526 1.00 0.00 H new ATOM 0 HA THR A 86 4.000 -1.976 5.136 1.00 0.00 H new ATOM 0 HB THR A 86 3.922 -3.531 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.004 -4.508 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.127 -5.966 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.572 -5.329 6.104 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.873 -5.705 4.949 1.00 0.00 H new ATOM 1076 N SER A 87 4.984 -3.859 3.300 1.00 0.00 N ATOM 1077 CA SER A 87 5.298 -4.414 1.991 1.00 0.00 C ATOM 1078 C SER A 87 6.068 -5.725 2.151 1.00 0.00 C ATOM 1079 O SER A 87 6.891 -5.857 3.057 1.00 0.00 O ATOM 1080 CB SER A 87 6.112 -3.405 1.174 1.00 0.00 C ATOM 1081 OG SER A 87 5.417 -2.172 1.052 1.00 0.00 O ATOM 0 H SER A 87 5.783 -3.787 3.929 1.00 0.00 H new ATOM 0 HA SER A 87 4.370 -4.620 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.077 -3.237 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.314 -3.812 0.183 1.00 0.00 H new ATOM 0 HG SER A 87 5.440 -1.875 0.119 1.00 0.00 H new ATOM 1087 N THR A 88 5.807 -6.688 1.275 1.00 0.00 N ATOM 1088 CA THR A 88 6.401 -8.015 1.398 1.00 0.00 C ATOM 1089 C THR A 88 6.804 -8.562 0.031 1.00 0.00 C ATOM 1090 O THR A 88 7.111 -7.791 -0.882 1.00 0.00 O ATOM 1091 CB THR A 88 5.427 -9.002 2.069 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.190 -9.043 1.352 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.166 -8.627 3.520 1.00 0.00 C ATOM 0 H THR A 88 5.188 -6.576 0.472 1.00 0.00 H new ATOM 0 HA THR A 88 7.289 -7.912 2.021 1.00 0.00 H new ATOM 0 HB THR A 88 5.891 -9.988 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.008 -9.962 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.475 -9.344 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.105 -8.639 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.731 -7.629 3.565 1.00 0.00 H new ATOM 1101 N ASP A 89 6.813 -9.897 -0.085 1.00 0.00 N ATOM 1102 CA ASP A 89 7.108 -10.600 -1.339 1.00 0.00 C ATOM 1103 C ASP A 89 8.529 -10.327 -1.826 1.00 0.00 C ATOM 1104 O ASP A 89 9.423 -11.137 -1.605 1.00 0.00 O ATOM 1105 CB ASP A 89 6.076 -10.236 -2.416 1.00 0.00 C ATOM 1106 CG ASP A 89 6.379 -10.837 -3.778 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.986 -11.995 -4.031 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.991 -10.139 -4.614 1.00 0.00 O ATOM 0 H ASP A 89 6.614 -10.523 0.695 1.00 0.00 H new ATOM 0 HA ASP A 89 7.039 -11.670 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.091 -10.571 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.028 -9.151 -2.510 1.00 0.00 H new ATOM 1113 N VAL A 90 8.741 -9.171 -2.439 1.00 0.00 N ATOM 1114 CA VAL A 90 10.028 -8.845 -3.037 1.00 0.00 C ATOM 1115 C VAL A 90 11.107 -8.632 -1.978 1.00 0.00 C ATOM 1116 O VAL A 90 12.220 -9.142 -2.103 1.00 0.00 O ATOM 1117 CB VAL A 90 9.936 -7.601 -3.945 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.444 -7.986 -5.329 1.00 0.00 C ATOM 1119 CG2 VAL A 90 9.012 -6.557 -3.334 1.00 0.00 C ATOM 0 H VAL A 90 8.035 -8.441 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 90 10.309 -9.702 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 90 10.934 -7.173 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.386 -7.096 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 90 10.137 -8.699 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.456 -8.440 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.961 -5.688 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.015 -6.980 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.398 -6.255 -2.360 1.00 0.00 H new ATOM 1129 N LEU A 91 10.773 -7.881 -0.939 1.00 0.00 N ATOM 1130 CA LEU A 91 11.734 -7.578 0.118 1.00 0.00 C ATOM 1131 C LEU A 91 11.703 -8.638 1.214 1.00 0.00 C ATOM 1132 O LEU A 91 12.677 -8.824 1.939 1.00 0.00 O ATOM 1133 CB LEU A 91 11.456 -6.189 0.706 1.00 0.00 C ATOM 1134 CG LEU A 91 10.103 -6.019 1.409 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.217 -6.317 2.899 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.569 -4.618 1.184 1.00 0.00 C ATOM 0 H LEU A 91 9.849 -7.471 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 91 12.732 -7.582 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.246 -5.952 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.521 -5.456 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 91 9.403 -6.735 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.243 -6.188 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.556 -7.343 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.934 -5.633 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.608 -4.509 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.274 -3.891 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.440 -4.445 0.116 1.00 0.00 H new ATOM 1148 N SER A 92 10.575 -9.324 1.336 1.00 0.00 N ATOM 1149 CA SER A 92 10.393 -10.294 2.403 1.00 0.00 C ATOM 1150 C SER A 92 10.901 -11.674 1.982 1.00 0.00 C ATOM 1151 O SER A 92 11.947 -12.125 2.451 1.00 0.00 O ATOM 1152 CB SER A 92 8.914 -10.354 2.794 1.00 0.00 C ATOM 1153 OG SER A 92 8.708 -11.132 3.960 1.00 0.00 O ATOM 0 H SER A 92 9.775 -9.226 0.711 1.00 0.00 H new ATOM 0 HA SER A 92 10.977 -9.980 3.268 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.541 -9.343 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.337 -10.774 1.970 1.00 0.00 H new ATOM 0 HG SER A 92 7.786 -11.017 4.271 1.00 0.00 H new ATOM 1159 N SER A 93 10.170 -12.322 1.080 1.00 0.00 N ATOM 1160 CA SER A 93 10.477 -13.684 0.654 1.00 0.00 C ATOM 1161 C SER A 93 9.454 -14.141 -0.380 1.00 0.00 C ATOM 1162 O SER A 93 9.764 -14.315 -1.560 1.00 0.00 O ATOM 1163 CB SER A 93 10.463 -14.631 1.861 1.00 0.00 C ATOM 1164 OG SER A 93 9.273 -14.468 2.622 1.00 0.00 O ATOM 0 H SER A 93 9.351 -11.920 0.625 1.00 0.00 H new ATOM 0 HA SER A 93 11.471 -13.702 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.542 -15.663 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.331 -14.436 2.491 1.00 0.00 H new ATOM 0 HG SER A 93 8.713 -15.267 2.529 1.00 0.00 H new ATOM 1170 N GLY A 94 8.232 -14.319 0.087 1.00 0.00 N ATOM 1171 CA GLY A 94 7.128 -14.662 -0.776 1.00 0.00 C ATOM 1172 C GLY A 94 5.831 -14.157 -0.196 1.00 0.00 C ATOM 1173 O GLY A 94 5.090 -13.428 -0.854 1.00 0.00 O ATOM 0 H GLY A 94 7.982 -14.229 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.284 -14.231 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.080 -15.743 -0.903 1.00 0.00 H new ATOM 1177 N THR A 95 5.581 -14.532 1.063 1.00 0.00 N ATOM 1178 CA THR A 95 4.414 -14.083 1.827 1.00 0.00 C ATOM 1179 C THR A 95 3.108 -14.272 1.057 1.00 0.00 C ATOM 1180 O THR A 95 3.010 -15.124 0.170 1.00 0.00 O ATOM 1181 CB THR A 95 4.546 -12.602 2.262 1.00 0.00 C ATOM 1182 OG1 THR A 95 4.850 -11.763 1.139 1.00 0.00 O ATOM 1183 CG2 THR A 95 5.623 -12.446 3.320 1.00 0.00 C ATOM 0 H THR A 95 6.190 -15.162 1.585 1.00 0.00 H new ATOM 0 HA THR A 95 4.382 -14.712 2.717 1.00 0.00 H new ATOM 0 HB THR A 95 3.588 -12.295 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.603 -12.224 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.698 -11.398 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.366 -13.047 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.579 -12.781 2.918 1.00 0.00 H new ATOM 1191 N VAL A 96 2.097 -13.507 1.432 1.00 0.00 N ATOM 1192 CA VAL A 96 0.866 -13.445 0.666 1.00 0.00 C ATOM 1193 C VAL A 96 0.940 -12.268 -0.299 1.00 0.00 C ATOM 1194 O VAL A 96 1.586 -11.257 -0.005 1.00 0.00 O ATOM 1195 CB VAL A 96 -0.380 -13.304 1.574 1.00 0.00 C ATOM 1196 CG1 VAL A 96 -0.552 -14.547 2.436 1.00 0.00 C ATOM 1197 CG2 VAL A 96 -0.287 -12.057 2.446 1.00 0.00 C ATOM 0 H VAL A 96 2.106 -12.919 2.265 1.00 0.00 H new ATOM 0 HA VAL A 96 0.761 -14.381 0.117 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.255 -13.200 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.432 -14.432 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.677 -15.420 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.330 -14.680 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.176 -11.984 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.599 -12.120 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.217 -11.174 1.811 1.00 0.00 H new ATOM 1207 N GLY A 97 0.303 -12.398 -1.444 1.00 0.00 N ATOM 1208 CA GLY A 97 0.382 -11.354 -2.443 1.00 0.00 C ATOM 1209 C GLY A 97 -0.946 -11.094 -3.110 1.00 0.00 C ATOM 1210 O GLY A 97 -2.004 -11.343 -2.528 1.00 0.00 O ATOM 0 H GLY A 97 -0.267 -13.203 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.737 -10.435 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.117 -11.633 -3.199 1.00 0.00 H new ATOM 1214 N SER A 98 -0.892 -10.575 -4.325 1.00 0.00 N ATOM 1215 CA SER A 98 -2.087 -10.285 -5.094 1.00 0.00 C ATOM 1216 C SER A 98 -1.771 -10.401 -6.581 1.00 0.00 C ATOM 1217 O SER A 98 -1.216 -9.441 -7.147 1.00 0.00 O ATOM 1218 CB SER A 98 -2.604 -8.882 -4.759 1.00 0.00 C ATOM 1219 OG SER A 98 -2.746 -8.725 -3.353 1.00 0.00 O ATOM 1220 OXT SER A 98 -2.048 -11.468 -7.170 1.00 0.00 O ATOM 0 H SER A 98 -0.021 -10.344 -4.803 1.00 0.00 H new ATOM 0 HA SER A 98 -2.866 -11.003 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.914 -8.132 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.564 -8.716 -5.248 1.00 0.00 H new ATOM 0 HG SER A 98 -3.636 -9.030 -3.078 1.00 0.00 H new TER 1226 SER A 98