USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 735 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 54 HIS : no HD1:sc= -0.103 X(o=-2,f=-1.9) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= -0.0146 USER MOD Set 1.3: A 65 ASN : amide:sc= -1.89! C(o=-2!,f=-4.5!) USER MOD Set 2.1: A 36 MET CE :methyl 147:sc= -0.994 (180deg=-1.14) USER MOD Set 2.2: A 91 GLN : amide:sc= -1.09! C(o=-2.1!,f=-10!) USER MOD Single : A 26 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.67) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 38 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.17) USER MOD Single : A 39 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 59 THR OG1 : rot 68:sc= 1.31 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00878 USER MOD Single : A 72 THR OG1 : rot 48:sc= 0.0133 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.986 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= 0 USER MOD Single : A 79 MET CE :methyl 142:sc= -0.236 (180deg=-1.95) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 2.44 (180deg=2.38) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0341 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -130:sc= -0.37 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 147:sc= -0.937 (180deg=-2.95) USER MOD Single : A 102 THR OG1 : rot 180:sc=-0.000288 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 119 ASN : amide:sc= -0.41 K(o=-0.41,f=-3.3!) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 122 SER OG : rot 72:sc= 1.2 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN :FLIP amide:sc= -0.042 F(o=-1.3!,f=-0.042) USER MOD Single : A 128 GLN :FLIP amide:sc= -0.191 F(o=-1.2,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -16.421 -10.079 -6.132 1.00 0.00 N ATOM 36 CA ASN A 26 -16.608 -8.828 -5.393 1.00 0.00 C ATOM 37 C ASN A 26 -16.113 -7.639 -6.209 1.00 0.00 C ATOM 38 O ASN A 26 -15.346 -6.813 -5.716 1.00 0.00 O ATOM 39 CB ASN A 26 -15.878 -8.887 -4.045 1.00 0.00 C ATOM 40 CG ASN A 26 -16.495 -9.896 -3.101 1.00 0.00 C ATOM 41 OD1 ASN A 26 -17.710 -10.084 -3.081 1.00 0.00 O ATOM 42 ND2 ASN A 26 -15.660 -10.573 -2.326 1.00 0.00 N ATOM 0 HA ASN A 26 -17.674 -8.699 -5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.831 -9.142 -4.212 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.896 -7.901 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.019 -11.279 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.658 -10.388 -2.372 1.00 0.00 H new ATOM 49 N TYR A 27 -16.575 -7.550 -7.452 1.00 0.00 N ATOM 50 CA TYR A 27 -16.062 -6.566 -8.398 1.00 0.00 C ATOM 51 C TYR A 27 -16.403 -5.138 -7.977 1.00 0.00 C ATOM 52 O TYR A 27 -15.608 -4.223 -8.194 1.00 0.00 O ATOM 53 CB TYR A 27 -16.600 -6.842 -9.807 1.00 0.00 C ATOM 54 CG TYR A 27 -15.942 -6.004 -10.887 1.00 0.00 C ATOM 55 CD1 TYR A 27 -16.542 -4.840 -11.359 1.00 0.00 C ATOM 56 CD2 TYR A 27 -14.715 -6.373 -11.430 1.00 0.00 C ATOM 57 CE1 TYR A 27 -15.938 -4.074 -12.335 1.00 0.00 C ATOM 58 CE2 TYR A 27 -14.110 -5.610 -12.410 1.00 0.00 C ATOM 59 CZ TYR A 27 -14.725 -4.463 -12.857 1.00 0.00 C ATOM 60 OH TYR A 27 -14.120 -3.700 -13.828 1.00 0.00 O ATOM 0 H TYR A 27 -17.308 -8.151 -7.829 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.976 -6.660 -8.404 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -16.457 -7.897 -10.041 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -17.674 -6.656 -9.819 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -17.495 -4.532 -10.955 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -14.228 -7.271 -11.079 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.415 -3.172 -12.688 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.159 -5.912 -12.823 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.270 -4.114 -14.087 1.00 0.00 H new ATOM 70 N LEU A 28 -17.562 -4.950 -7.360 1.00 0.00 N ATOM 71 CA LEU A 28 -18.005 -3.612 -6.977 1.00 0.00 C ATOM 72 C LEU A 28 -17.112 -3.050 -5.879 1.00 0.00 C ATOM 73 O LEU A 28 -16.623 -1.922 -5.977 1.00 0.00 O ATOM 74 CB LEU A 28 -19.468 -3.631 -6.514 1.00 0.00 C ATOM 75 CG LEU A 28 -20.500 -3.904 -7.614 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.894 -4.029 -7.019 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.474 -2.793 -8.655 1.00 0.00 C ATOM 0 H LEU A 28 -18.209 -5.699 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.932 -2.968 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.577 -4.391 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.698 -2.671 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.242 -4.845 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.613 -4.223 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.912 -4.852 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.157 -3.102 -6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -21.213 -3.002 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.708 -1.842 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.483 -2.739 -9.105 1.00 0.00 H new ATOM 89 N ARG A 29 -16.891 -3.842 -4.840 1.00 0.00 N ATOM 90 CA ARG A 29 -15.991 -3.451 -3.773 1.00 0.00 C ATOM 91 C ARG A 29 -14.555 -3.402 -4.281 1.00 0.00 C ATOM 92 O ARG A 29 -13.780 -2.527 -3.896 1.00 0.00 O ATOM 93 CB ARG A 29 -16.107 -4.410 -2.586 1.00 0.00 C ATOM 94 CG ARG A 29 -15.056 -4.170 -1.516 1.00 0.00 C ATOM 95 CD ARG A 29 -15.346 -4.953 -0.248 1.00 0.00 C ATOM 96 NE ARG A 29 -15.318 -6.398 -0.459 1.00 0.00 N ATOM 97 CZ ARG A 29 -16.037 -7.266 0.258 1.00 0.00 C ATOM 98 NH1 ARG A 29 -16.905 -6.830 1.164 1.00 0.00 N ATOM 99 NH2 ARG A 29 -15.902 -8.567 0.056 1.00 0.00 N ATOM 0 H ARG A 29 -17.323 -4.757 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.274 -2.454 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -17.097 -4.310 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.022 -5.435 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.076 -4.453 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.012 -3.106 -1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.613 -4.687 0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.325 -4.665 0.136 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.715 -6.765 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.025 -5.828 1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.452 -7.497 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.248 -8.909 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.452 -9.228 0.605 1.00 0.00 H new ATOM 113 N LYS A 30 -14.214 -4.339 -5.155 1.00 0.00 N ATOM 114 CA LYS A 30 -12.878 -4.398 -5.724 1.00 0.00 C ATOM 115 C LYS A 30 -12.559 -3.117 -6.488 1.00 0.00 C ATOM 116 O LYS A 30 -11.497 -2.532 -6.296 1.00 0.00 O ATOM 117 CB LYS A 30 -12.734 -5.620 -6.634 1.00 0.00 C ATOM 118 CG LYS A 30 -11.326 -5.833 -7.166 1.00 0.00 C ATOM 119 CD LYS A 30 -11.182 -7.190 -7.838 1.00 0.00 C ATOM 120 CE LYS A 30 -12.122 -7.341 -9.024 1.00 0.00 C ATOM 121 NZ LYS A 30 -11.964 -8.659 -9.692 1.00 0.00 N ATOM 0 H LYS A 30 -14.846 -5.069 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.163 -4.493 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.041 -6.509 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.418 -5.515 -7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.083 -5.045 -7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.611 -5.754 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.153 -7.322 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.385 -7.977 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.152 -7.226 -8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.930 -6.544 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.622 -8.722 -10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.988 -8.759 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.172 -9.419 -9.013 1.00 0.00 H new ATOM 135 N ALA A 31 -13.476 -2.675 -7.347 1.00 0.00 N ATOM 136 CA ALA A 31 -13.296 -1.431 -8.086 1.00 0.00 C ATOM 137 C ALA A 31 -13.196 -0.229 -7.154 1.00 0.00 C ATOM 138 O ALA A 31 -12.520 0.750 -7.469 1.00 0.00 O ATOM 139 CB ALA A 31 -14.435 -1.239 -9.073 1.00 0.00 C ATOM 0 H ALA A 31 -14.350 -3.161 -7.547 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.355 -1.503 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.290 -0.307 -9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.452 -2.072 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.381 -1.200 -8.533 1.00 0.00 H new ATOM 145 N ALA A 32 -13.863 -0.303 -6.008 1.00 0.00 N ATOM 146 CA ALA A 32 -13.781 0.762 -5.018 1.00 0.00 C ATOM 147 C ALA A 32 -12.379 0.812 -4.436 1.00 0.00 C ATOM 148 O ALA A 32 -11.772 1.875 -4.310 1.00 0.00 O ATOM 149 CB ALA A 32 -14.808 0.553 -3.919 1.00 0.00 C ATOM 0 H ALA A 32 -14.463 -1.084 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.998 1.713 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.730 1.359 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.808 0.551 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.624 -0.401 -3.426 1.00 0.00 H new ATOM 155 N LEU A 33 -11.862 -0.365 -4.112 1.00 0.00 N ATOM 156 CA LEU A 33 -10.503 -0.500 -3.613 1.00 0.00 C ATOM 157 C LEU A 33 -9.510 -0.107 -4.699 1.00 0.00 C ATOM 158 O LEU A 33 -8.449 0.452 -4.418 1.00 0.00 O ATOM 159 CB LEU A 33 -10.255 -1.943 -3.163 1.00 0.00 C ATOM 160 CG LEU A 33 -11.216 -2.465 -2.090 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.967 -3.939 -1.820 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.085 -1.657 -0.809 1.00 0.00 C ATOM 0 H LEU A 33 -12.369 -1.247 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.368 0.163 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.320 -2.595 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.236 -2.018 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.234 -2.351 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.659 -4.291 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.120 -4.508 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.943 -4.078 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.777 -2.045 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.065 -1.733 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.320 -0.612 -1.012 1.00 0.00 H new ATOM 174 N THR A 34 -9.874 -0.393 -5.944 1.00 0.00 N ATOM 175 CA THR A 34 -9.065 -0.012 -7.089 1.00 0.00 C ATOM 176 C THR A 34 -8.981 1.505 -7.188 1.00 0.00 C ATOM 177 O THR A 34 -7.909 2.062 -7.409 1.00 0.00 O ATOM 178 CB THR A 34 -9.641 -0.583 -8.402 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.786 -2.005 -8.297 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.740 -0.254 -9.582 1.00 0.00 C ATOM 0 H THR A 34 -10.731 -0.891 -6.184 1.00 0.00 H new ATOM 0 HA THR A 34 -8.068 -0.427 -6.943 1.00 0.00 H new ATOM 0 HB THR A 34 -10.616 -0.125 -8.569 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.531 -2.214 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.169 -0.668 -10.494 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.651 0.828 -9.681 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.753 -0.686 -9.417 1.00 0.00 H new ATOM 188 N ASP A 35 -10.113 2.168 -6.978 1.00 0.00 N ATOM 189 CA ASP A 35 -10.165 3.624 -7.043 1.00 0.00 C ATOM 190 C ASP A 35 -9.385 4.227 -5.889 1.00 0.00 C ATOM 191 O ASP A 35 -8.741 5.264 -6.033 1.00 0.00 O ATOM 192 CB ASP A 35 -11.607 4.130 -7.020 1.00 0.00 C ATOM 193 CG ASP A 35 -11.676 5.645 -7.034 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.063 6.240 -6.009 1.00 0.00 O ATOM 195 OD2 ASP A 35 -11.328 6.252 -8.070 1.00 0.00 O ATOM 0 H ASP A 35 -11.005 1.722 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.712 3.934 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.144 3.734 -7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.110 3.752 -6.130 1.00 0.00 H new ATOM 200 N MET A 36 -9.450 3.565 -4.742 1.00 0.00 N ATOM 201 CA MET A 36 -8.674 3.977 -3.580 1.00 0.00 C ATOM 202 C MET A 36 -7.187 3.930 -3.913 1.00 0.00 C ATOM 203 O MET A 36 -6.436 4.855 -3.602 1.00 0.00 O ATOM 204 CB MET A 36 -8.980 3.079 -2.378 1.00 0.00 C ATOM 205 CG MET A 36 -8.308 3.536 -1.097 1.00 0.00 C ATOM 206 SD MET A 36 -8.750 5.228 -0.653 1.00 0.00 S ATOM 207 CE MET A 36 -10.540 5.133 -0.657 1.00 0.00 C ATOM 0 H MET A 36 -10.032 2.741 -4.591 1.00 0.00 H new ATOM 0 HA MET A 36 -8.950 4.998 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 36 -10.058 3.048 -2.223 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.661 2.061 -2.604 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.587 2.865 -0.284 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.226 3.464 -1.212 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.942 5.806 0.100 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.918 5.423 -1.637 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.851 4.112 -0.436 1.00 0.00 H new ATOM 217 N LEU A 37 -6.781 2.858 -4.580 1.00 0.00 N ATOM 218 CA LEU A 37 -5.411 2.715 -5.045 1.00 0.00 C ATOM 219 C LEU A 37 -5.084 3.791 -6.082 1.00 0.00 C ATOM 220 O LEU A 37 -3.991 4.355 -6.084 1.00 0.00 O ATOM 221 CB LEU A 37 -5.211 1.321 -5.644 1.00 0.00 C ATOM 222 CG LEU A 37 -3.806 1.018 -6.178 1.00 0.00 C ATOM 223 CD1 LEU A 37 -2.811 0.872 -5.038 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.829 -0.239 -7.028 1.00 0.00 C ATOM 0 H LEU A 37 -7.387 2.071 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.736 2.838 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.457 0.581 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.924 1.190 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.487 1.856 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.822 0.657 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.775 1.799 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.121 0.055 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.826 -0.444 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.170 -1.080 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.507 -0.097 -7.869 1.00 0.00 H new ATOM 236 N GLN A 38 -6.052 4.083 -6.949 1.00 0.00 N ATOM 237 CA GLN A 38 -5.884 5.107 -7.977 1.00 0.00 C ATOM 238 C GLN A 38 -5.768 6.492 -7.358 1.00 0.00 C ATOM 239 O GLN A 38 -5.211 7.403 -7.962 1.00 0.00 O ATOM 240 CB GLN A 38 -7.043 5.085 -8.973 1.00 0.00 C ATOM 241 CG GLN A 38 -7.142 3.800 -9.780 1.00 0.00 C ATOM 242 CD GLN A 38 -5.831 3.429 -10.446 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.546 3.855 -11.564 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.031 2.624 -9.768 1.00 0.00 N ATOM 0 H GLN A 38 -6.963 3.623 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.960 4.881 -8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.977 5.234 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.935 5.925 -9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.456 2.987 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.914 3.912 -10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.305 2.293 -8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.140 2.334 -10.170 1.00 0.00 H new ATOM 253 N THR A 39 -6.313 6.648 -6.162 1.00 0.00 N ATOM 254 CA THR A 39 -6.201 7.900 -5.429 1.00 0.00 C ATOM 255 C THR A 39 -4.792 8.045 -4.848 1.00 0.00 C ATOM 256 O THR A 39 -4.253 9.147 -4.750 1.00 0.00 O ATOM 257 CB THR A 39 -7.253 7.969 -4.302 1.00 0.00 C ATOM 258 OG1 THR A 39 -8.557 7.692 -4.840 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.259 9.339 -3.635 1.00 0.00 C ATOM 0 H THR A 39 -6.839 5.921 -5.677 1.00 0.00 H new ATOM 0 HA THR A 39 -6.385 8.722 -6.120 1.00 0.00 H new ATOM 0 HB THR A 39 -6.994 7.223 -3.550 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.590 6.765 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.010 9.356 -2.846 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.277 9.539 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.494 10.103 -4.376 1.00 0.00 H new ATOM 267 N PHE A 40 -4.192 6.916 -4.487 1.00 0.00 N ATOM 268 CA PHE A 40 -2.827 6.903 -3.973 1.00 0.00 C ATOM 269 C PHE A 40 -1.825 7.229 -5.083 1.00 0.00 C ATOM 270 O PHE A 40 -0.797 7.859 -4.834 1.00 0.00 O ATOM 271 CB PHE A 40 -2.501 5.546 -3.338 1.00 0.00 C ATOM 272 CG PHE A 40 -1.087 5.442 -2.831 1.00 0.00 C ATOM 273 CD1 PHE A 40 -0.550 6.422 -2.008 1.00 0.00 C ATOM 274 CD2 PHE A 40 -0.294 4.364 -3.187 1.00 0.00 C ATOM 275 CE1 PHE A 40 0.751 6.329 -1.555 1.00 0.00 C ATOM 276 CE2 PHE A 40 1.008 4.264 -2.735 1.00 0.00 C ATOM 277 CZ PHE A 40 1.531 5.248 -1.917 1.00 0.00 C ATOM 0 H PHE A 40 -4.630 5.996 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.748 7.671 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.189 5.366 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.673 4.760 -4.073 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.157 7.267 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.698 3.592 -3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.158 7.101 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.616 3.418 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.548 5.172 -1.561 1.00 0.00 H new ATOM 287 N VAL A 41 -2.133 6.781 -6.297 1.00 0.00 N ATOM 288 CA VAL A 41 -1.258 6.974 -7.457 1.00 0.00 C ATOM 289 C VAL A 41 -0.716 8.415 -7.571 1.00 0.00 C ATOM 290 O VAL A 41 0.497 8.597 -7.651 1.00 0.00 O ATOM 291 CB VAL A 41 -1.958 6.552 -8.771 1.00 0.00 C ATOM 292 CG1 VAL A 41 -1.144 6.963 -9.985 1.00 0.00 C ATOM 293 CG2 VAL A 41 -2.190 5.050 -8.780 1.00 0.00 C ATOM 0 H VAL A 41 -2.993 6.275 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.399 6.323 -7.295 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.919 7.064 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.662 6.653 -10.892 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.020 8.046 -9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.165 6.486 -9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.683 4.764 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.233 4.534 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.820 4.774 -7.935 1.00 0.00 H new ATOM 303 N PRO A 42 -1.579 9.461 -7.564 1.00 0.00 N ATOM 304 CA PRO A 42 -1.110 10.849 -7.625 1.00 0.00 C ATOM 305 C PRO A 42 -0.161 11.197 -6.484 1.00 0.00 C ATOM 306 O PRO A 42 0.801 11.945 -6.675 1.00 0.00 O ATOM 307 CB PRO A 42 -2.384 11.686 -7.507 1.00 0.00 C ATOM 308 CG PRO A 42 -3.485 10.775 -7.913 1.00 0.00 C ATOM 309 CD PRO A 42 -3.049 9.391 -7.527 1.00 0.00 C ATOM 0 HA PRO A 42 -0.549 11.030 -8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.526 12.046 -6.488 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.340 12.563 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.416 11.043 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.668 10.840 -8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.411 9.120 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.431 8.643 -8.222 1.00 0.00 H new ATOM 317 N TYR A 43 -0.421 10.653 -5.297 1.00 0.00 N ATOM 318 CA TYR A 43 0.407 10.947 -4.134 1.00 0.00 C ATOM 319 C TYR A 43 1.773 10.283 -4.247 1.00 0.00 C ATOM 320 O TYR A 43 2.747 10.757 -3.664 1.00 0.00 O ATOM 321 CB TYR A 43 -0.283 10.502 -2.841 1.00 0.00 C ATOM 322 CG TYR A 43 -1.515 11.315 -2.492 1.00 0.00 C ATOM 323 CD1 TYR A 43 -2.793 10.809 -2.702 1.00 0.00 C ATOM 324 CD2 TYR A 43 -1.400 12.594 -1.953 1.00 0.00 C ATOM 325 CE1 TYR A 43 -3.915 11.549 -2.387 1.00 0.00 C ATOM 326 CE2 TYR A 43 -2.520 13.338 -1.637 1.00 0.00 C ATOM 327 CZ TYR A 43 -3.774 12.810 -1.853 1.00 0.00 C ATOM 328 OH TYR A 43 -4.891 13.547 -1.538 1.00 0.00 O ATOM 0 H TYR A 43 -1.193 10.011 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 43 0.549 12.027 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.566 9.453 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.429 10.569 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.910 9.820 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.419 13.011 -1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.900 11.140 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.413 14.329 -1.222 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.618 14.413 -1.170 1.00 0.00 H new ATOM 338 N ARG A 44 1.844 9.190 -5.001 1.00 0.00 N ATOM 339 CA ARG A 44 3.106 8.486 -5.207 1.00 0.00 C ATOM 340 C ARG A 44 4.135 9.420 -5.815 1.00 0.00 C ATOM 341 O ARG A 44 5.276 9.476 -5.365 1.00 0.00 O ATOM 342 CB ARG A 44 2.932 7.267 -6.112 1.00 0.00 C ATOM 343 CG ARG A 44 1.943 6.247 -5.583 1.00 0.00 C ATOM 344 CD ARG A 44 1.978 4.959 -6.402 1.00 0.00 C ATOM 345 NE ARG A 44 1.829 5.206 -7.836 1.00 0.00 N ATOM 346 CZ ARG A 44 1.634 4.247 -8.742 1.00 0.00 C ATOM 347 NH1 ARG A 44 1.520 2.977 -8.365 1.00 0.00 N ATOM 348 NH2 ARG A 44 1.549 4.562 -10.027 1.00 0.00 N ATOM 0 H ARG A 44 1.045 8.773 -5.478 1.00 0.00 H new ATOM 0 HA ARG A 44 3.450 8.142 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.603 7.601 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.900 6.785 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.171 6.023 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.938 6.667 -5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.920 4.442 -6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.181 4.296 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 44 1.877 6.171 -8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.582 2.731 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.371 2.249 -9.064 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.633 5.535 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.400 3.831 -10.723 1.00 0.00 H new ATOM 362 N THR A 45 3.719 10.144 -6.846 1.00 0.00 N ATOM 363 CA THR A 45 4.562 11.147 -7.473 1.00 0.00 C ATOM 364 C THR A 45 5.109 12.142 -6.446 1.00 0.00 C ATOM 365 O THR A 45 6.285 12.489 -6.480 1.00 0.00 O ATOM 366 CB THR A 45 3.765 11.903 -8.549 1.00 0.00 C ATOM 367 OG1 THR A 45 3.091 10.959 -9.391 1.00 0.00 O ATOM 368 CG2 THR A 45 4.674 12.781 -9.392 1.00 0.00 C ATOM 0 H THR A 45 2.794 10.052 -7.267 1.00 0.00 H new ATOM 0 HA THR A 45 5.407 10.633 -7.932 1.00 0.00 H new ATOM 0 HB THR A 45 3.039 12.546 -8.052 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.581 11.438 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.081 13.302 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.171 13.510 -8.752 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.423 12.161 -9.886 1.00 0.00 H new ATOM 376 N ALA A 46 4.261 12.565 -5.516 1.00 0.00 N ATOM 377 CA ALA A 46 4.673 13.492 -4.464 1.00 0.00 C ATOM 378 C ALA A 46 5.699 12.831 -3.546 1.00 0.00 C ATOM 379 O ALA A 46 6.650 13.462 -3.088 1.00 0.00 O ATOM 380 CB ALA A 46 3.464 13.957 -3.665 1.00 0.00 C ATOM 0 H ALA A 46 3.282 12.282 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 46 5.136 14.363 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.787 14.647 -2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.762 14.462 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.976 13.096 -3.208 1.00 0.00 H new ATOM 386 N VAL A 47 5.490 11.547 -3.304 1.00 0.00 N ATOM 387 CA VAL A 47 6.411 10.749 -2.502 1.00 0.00 C ATOM 388 C VAL A 47 7.767 10.661 -3.199 1.00 0.00 C ATOM 389 O VAL A 47 8.814 10.862 -2.578 1.00 0.00 O ATOM 390 CB VAL A 47 5.867 9.325 -2.239 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.913 8.465 -1.537 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.590 9.381 -1.413 1.00 0.00 C ATOM 0 H VAL A 47 4.684 11.029 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 47 6.521 11.246 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 47 5.638 8.870 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.507 7.468 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.802 8.390 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.178 8.921 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.224 8.369 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.796 9.861 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.834 9.953 -1.951 1.00 0.00 H new ATOM 402 N GLU A 48 7.736 10.387 -4.499 1.00 0.00 N ATOM 403 CA GLU A 48 8.959 10.281 -5.285 1.00 0.00 C ATOM 404 C GLU A 48 9.640 11.641 -5.392 1.00 0.00 C ATOM 405 O GLU A 48 10.860 11.736 -5.291 1.00 0.00 O ATOM 406 CB GLU A 48 8.667 9.736 -6.688 1.00 0.00 C ATOM 407 CG GLU A 48 7.973 8.385 -6.698 1.00 0.00 C ATOM 408 CD GLU A 48 7.758 7.863 -8.101 1.00 0.00 C ATOM 409 OE1 GLU A 48 8.618 7.104 -8.600 1.00 0.00 O ATOM 410 OE2 GLU A 48 6.735 8.222 -8.723 1.00 0.00 O ATOM 0 H GLU A 48 6.878 10.235 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 48 9.625 9.585 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.047 10.455 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.605 9.654 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.569 7.668 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.011 8.469 -6.192 1.00 0.00 H new ATOM 417 N LEU A 49 8.843 12.685 -5.595 1.00 0.00 N ATOM 418 CA LEU A 49 9.355 14.052 -5.651 1.00 0.00 C ATOM 419 C LEU A 49 10.059 14.402 -4.353 1.00 0.00 C ATOM 420 O LEU A 49 11.144 14.983 -4.359 1.00 0.00 O ATOM 421 CB LEU A 49 8.214 15.040 -5.905 1.00 0.00 C ATOM 422 CG LEU A 49 7.673 15.068 -7.335 1.00 0.00 C ATOM 423 CD1 LEU A 49 6.409 15.908 -7.410 1.00 0.00 C ATOM 424 CD2 LEU A 49 8.727 15.607 -8.290 1.00 0.00 C ATOM 0 H LEU A 49 7.834 12.611 -5.724 1.00 0.00 H new ATOM 0 HA LEU A 49 10.068 14.119 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.393 14.801 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.559 16.041 -5.646 1.00 0.00 H new ATOM 0 HG LEU A 49 7.426 14.048 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.038 15.917 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.650 15.483 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.631 16.928 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.327 15.621 -9.304 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.002 16.620 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.609 14.968 -8.257 1.00 0.00 H new ATOM 436 N CYS A 50 9.435 14.033 -3.246 1.00 0.00 N ATOM 437 CA CYS A 50 10.012 14.243 -1.932 1.00 0.00 C ATOM 438 C CYS A 50 11.373 13.554 -1.826 1.00 0.00 C ATOM 439 O CYS A 50 12.395 14.213 -1.614 1.00 0.00 O ATOM 440 CB CYS A 50 9.046 13.729 -0.858 1.00 0.00 C ATOM 441 SG CYS A 50 9.796 13.486 0.782 1.00 0.00 S ATOM 0 H CYS A 50 8.520 13.582 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 50 10.170 15.310 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.220 14.433 -0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.622 12.782 -1.193 1.00 0.00 H new ATOM 446 N ALA A 51 11.380 12.234 -1.991 1.00 0.00 N ATOM 447 CA ALA A 51 12.608 11.445 -1.915 1.00 0.00 C ATOM 448 C ALA A 51 13.667 11.885 -2.930 1.00 0.00 C ATOM 449 O ALA A 51 14.861 11.734 -2.688 1.00 0.00 O ATOM 450 CB ALA A 51 12.287 9.972 -2.106 1.00 0.00 C ATOM 0 H ALA A 51 10.542 11.684 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 51 13.032 11.613 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.206 9.389 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.600 9.645 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.824 9.824 -3.082 1.00 0.00 H new ATOM 456 N LEU A 52 13.232 12.416 -4.060 1.00 0.00 N ATOM 457 CA LEU A 52 14.160 12.823 -5.111 1.00 0.00 C ATOM 458 C LEU A 52 14.748 14.205 -4.834 1.00 0.00 C ATOM 459 O LEU A 52 15.962 14.404 -4.925 1.00 0.00 O ATOM 460 CB LEU A 52 13.459 12.821 -6.475 1.00 0.00 C ATOM 461 CG LEU A 52 14.364 13.104 -7.675 1.00 0.00 C ATOM 462 CD1 LEU A 52 15.345 11.959 -7.890 1.00 0.00 C ATOM 463 CD2 LEU A 52 13.534 13.343 -8.927 1.00 0.00 C ATOM 0 H LEU A 52 12.248 12.576 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 52 14.977 12.102 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.984 11.851 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.663 13.566 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 52 14.936 14.008 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.980 12.180 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.965 11.839 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.793 11.037 -8.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.196 13.543 -9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.933 12.459 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.878 14.199 -8.770 1.00 0.00 H new ATOM 475 N GLU A 53 13.888 15.154 -4.496 1.00 0.00 N ATOM 476 CA GLU A 53 14.305 16.540 -4.308 1.00 0.00 C ATOM 477 C GLU A 53 15.004 16.728 -2.965 1.00 0.00 C ATOM 478 O GLU A 53 16.038 17.392 -2.876 1.00 0.00 O ATOM 479 CB GLU A 53 13.092 17.468 -4.417 1.00 0.00 C ATOM 480 CG GLU A 53 13.421 18.941 -4.249 1.00 0.00 C ATOM 481 CD GLU A 53 12.205 19.824 -4.424 1.00 0.00 C ATOM 482 OE1 GLU A 53 11.539 20.138 -3.418 1.00 0.00 O ATOM 483 OE2 GLU A 53 11.904 20.204 -5.574 1.00 0.00 O ATOM 0 H GLU A 53 12.892 14.991 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 53 15.019 16.794 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.621 17.320 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.360 17.182 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.847 19.105 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.182 19.226 -4.975 1.00 0.00 H new ATOM 490 N HIS A 54 14.440 16.127 -1.928 1.00 0.00 N ATOM 491 CA HIS A 54 15.005 16.242 -0.588 1.00 0.00 C ATOM 492 C HIS A 54 16.016 15.135 -0.335 1.00 0.00 C ATOM 493 O HIS A 54 16.711 15.137 0.679 1.00 0.00 O ATOM 494 CB HIS A 54 13.910 16.210 0.482 1.00 0.00 C ATOM 495 CG HIS A 54 12.963 17.365 0.401 1.00 0.00 C ATOM 496 ND1 HIS A 54 13.265 18.624 0.871 1.00 0.00 N ATOM 497 CD2 HIS A 54 11.719 17.449 -0.120 1.00 0.00 C ATOM 498 CE1 HIS A 54 12.248 19.432 0.641 1.00 0.00 C ATOM 499 NE2 HIS A 54 11.300 18.744 0.041 1.00 0.00 N ATOM 0 H HIS A 54 13.596 15.557 -1.986 1.00 0.00 H new ATOM 0 HA HIS A 54 15.513 17.204 -0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.347 15.281 0.387 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.376 16.201 1.467 1.00 0.00 H new ATOM 0 HD2 HIS A 54 11.160 16.646 -0.577 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.201 20.479 0.901 1.00 0.00 H new ATOM 0 HE2 HIS A 54 10.398 19.115 -0.257 1.00 0.00 H new ATOM 508 N GLY A 55 16.106 14.205 -1.282 1.00 0.00 N ATOM 509 CA GLY A 55 17.029 13.090 -1.159 1.00 0.00 C ATOM 510 C GLY A 55 16.747 12.213 0.044 1.00 0.00 C ATOM 511 O GLY A 55 17.614 11.456 0.479 1.00 0.00 O ATOM 0 H GLY A 55 15.552 14.205 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.978 12.483 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.047 13.475 -1.090 1.00 0.00 H new ATOM 515 N GLY A 56 15.535 12.289 0.577 1.00 0.00 N ATOM 516 CA GLY A 56 15.249 11.584 1.802 1.00 0.00 C ATOM 517 C GLY A 56 13.872 10.957 1.775 1.00 0.00 C ATOM 518 O GLY A 56 12.937 11.565 1.263 1.00 0.00 O ATOM 0 H GLY A 56 14.757 12.820 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.999 10.809 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.319 12.273 2.644 1.00 0.00 H new ATOM 522 N LEU A 57 13.728 9.751 2.310 1.00 0.00 N ATOM 523 CA LEU A 57 12.402 9.226 2.618 1.00 0.00 C ATOM 524 C LEU A 57 11.903 9.848 3.912 1.00 0.00 C ATOM 525 O LEU A 57 10.702 9.977 4.142 1.00 0.00 O ATOM 526 CB LEU A 57 12.410 7.699 2.723 1.00 0.00 C ATOM 527 CG LEU A 57 12.639 6.950 1.406 1.00 0.00 C ATOM 528 CD1 LEU A 57 12.809 5.461 1.660 1.00 0.00 C ATOM 529 CD2 LEU A 57 11.481 7.190 0.443 1.00 0.00 C ATOM 0 H LEU A 57 14.500 9.125 2.537 1.00 0.00 H new ATOM 0 HA LEU A 57 11.728 9.489 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.187 7.404 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.458 7.376 3.144 1.00 0.00 H new ATOM 0 HG LEU A 57 13.553 7.333 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.971 4.946 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.667 5.299 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.911 5.069 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.663 6.650 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.554 6.836 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.398 8.256 0.232 1.00 0.00 H new ATOM 541 N ASP A 58 12.859 10.245 4.744 1.00 0.00 N ATOM 542 CA ASP A 58 12.581 10.770 6.076 1.00 0.00 C ATOM 543 C ASP A 58 11.754 12.043 6.028 1.00 0.00 C ATOM 544 O ASP A 58 11.033 12.358 6.970 1.00 0.00 O ATOM 545 CB ASP A 58 13.892 11.031 6.823 1.00 0.00 C ATOM 546 CG ASP A 58 13.689 11.704 8.170 1.00 0.00 C ATOM 547 OD1 ASP A 58 13.062 11.094 9.063 1.00 0.00 O ATOM 548 OD2 ASP A 58 14.173 12.845 8.348 1.00 0.00 O ATOM 0 H ASP A 58 13.852 10.212 4.513 1.00 0.00 H new ATOM 0 HA ASP A 58 11.998 10.017 6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.413 10.085 6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.537 11.656 6.205 1.00 0.00 H new ATOM 553 N THR A 59 11.842 12.763 4.927 1.00 0.00 N ATOM 554 CA THR A 59 11.150 14.027 4.794 1.00 0.00 C ATOM 555 C THR A 59 9.734 13.834 4.266 1.00 0.00 C ATOM 556 O THR A 59 8.932 14.766 4.237 1.00 0.00 O ATOM 557 CB THR A 59 11.932 14.949 3.843 1.00 0.00 C ATOM 558 OG1 THR A 59 12.264 14.239 2.639 1.00 0.00 O ATOM 559 CG2 THR A 59 13.207 15.444 4.500 1.00 0.00 C ATOM 0 H THR A 59 12.388 12.492 4.109 1.00 0.00 H new ATOM 0 HA THR A 59 11.085 14.481 5.783 1.00 0.00 H new ATOM 0 HB THR A 59 11.303 15.807 3.605 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.445 14.050 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.744 16.094 3.809 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.958 16.001 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.836 14.593 4.760 1.00 0.00 H new ATOM 567 N CYS A 60 9.417 12.612 3.875 1.00 0.00 N ATOM 568 CA CYS A 60 8.163 12.345 3.199 1.00 0.00 C ATOM 569 C CYS A 60 7.053 12.025 4.199 1.00 0.00 C ATOM 570 O CYS A 60 6.432 10.962 4.146 1.00 0.00 O ATOM 571 CB CYS A 60 8.352 11.204 2.200 1.00 0.00 C ATOM 572 SG CYS A 60 9.725 11.470 1.029 1.00 0.00 S ATOM 0 H CYS A 60 10.009 11.793 4.014 1.00 0.00 H new ATOM 0 HA CYS A 60 7.859 13.240 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.529 10.279 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.428 11.069 1.638 1.00 0.00 H new ATOM 577 N ASP A 61 6.807 12.952 5.110 1.00 0.00 N ATOM 578 CA ASP A 61 5.751 12.795 6.098 1.00 0.00 C ATOM 579 C ASP A 61 4.562 13.675 5.736 1.00 0.00 C ATOM 580 O ASP A 61 4.721 14.719 5.101 1.00 0.00 O ATOM 581 CB ASP A 61 6.256 13.158 7.498 1.00 0.00 C ATOM 582 CG ASP A 61 7.318 12.202 8.007 1.00 0.00 C ATOM 583 OD1 ASP A 61 8.432 12.665 8.337 1.00 0.00 O ATOM 584 OD2 ASP A 61 7.043 10.985 8.088 1.00 0.00 O ATOM 0 H ASP A 61 7.327 13.826 5.186 1.00 0.00 H new ATOM 0 HA ASP A 61 5.440 11.750 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.662 14.169 7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.416 13.163 8.192 1.00 0.00 H new ATOM 589 N GLY A 62 3.373 13.249 6.142 1.00 0.00 N ATOM 590 CA GLY A 62 2.169 13.983 5.808 1.00 0.00 C ATOM 591 C GLY A 62 2.068 15.296 6.553 1.00 0.00 C ATOM 592 O GLY A 62 2.026 15.315 7.785 1.00 0.00 O ATOM 0 H GLY A 62 3.221 12.407 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.150 14.175 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.298 13.370 6.038 1.00 0.00 H new ATOM 596 N GLY A 63 2.024 16.393 5.811 1.00 0.00 N ATOM 597 CA GLY A 63 1.904 17.699 6.421 1.00 0.00 C ATOM 598 C GLY A 63 3.183 18.505 6.331 1.00 0.00 C ATOM 599 O GLY A 63 3.272 19.598 6.890 1.00 0.00 O ATOM 0 H GLY A 63 2.070 16.400 4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.098 18.249 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.626 17.582 7.468 1.00 0.00 H new ATOM 603 N SER A 64 4.177 17.976 5.632 1.00 0.00 N ATOM 604 CA SER A 64 5.451 18.657 5.500 1.00 0.00 C ATOM 605 C SER A 64 6.091 18.330 4.148 1.00 0.00 C ATOM 606 O SER A 64 5.659 17.402 3.465 1.00 0.00 O ATOM 607 CB SER A 64 6.366 18.244 6.658 1.00 0.00 C ATOM 608 OG SER A 64 7.595 18.953 6.638 1.00 0.00 O ATOM 0 H SER A 64 4.123 17.079 5.149 1.00 0.00 H new ATOM 0 HA SER A 64 5.296 19.735 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.858 18.425 7.605 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.563 17.173 6.601 1.00 0.00 H new ATOM 0 HG SER A 64 8.151 18.665 7.391 1.00 0.00 H new ATOM 614 N ASN A 65 7.113 19.105 3.772 1.00 0.00 N ATOM 615 CA ASN A 65 7.864 18.894 2.526 1.00 0.00 C ATOM 616 C ASN A 65 6.960 18.832 1.298 1.00 0.00 C ATOM 617 O ASN A 65 7.182 18.029 0.389 1.00 0.00 O ATOM 618 CB ASN A 65 8.718 17.625 2.617 1.00 0.00 C ATOM 619 CG ASN A 65 9.867 17.770 3.604 1.00 0.00 C ATOM 620 OD1 ASN A 65 10.970 18.171 3.235 1.00 0.00 O ATOM 621 ND2 ASN A 65 9.620 17.448 4.865 1.00 0.00 N ATOM 0 H ASN A 65 7.445 19.897 4.322 1.00 0.00 H new ATOM 0 HA ASN A 65 8.515 19.759 2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.088 16.787 2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.117 17.387 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.357 17.529 5.566 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.693 17.119 5.135 1.00 0.00 H new ATOM 628 N GLY A 66 5.945 19.681 1.272 1.00 0.00 N ATOM 629 CA GLY A 66 5.065 19.751 0.119 1.00 0.00 C ATOM 630 C GLY A 66 3.970 18.709 0.155 1.00 0.00 C ATOM 631 O GLY A 66 3.002 18.790 -0.603 1.00 0.00 O ATOM 0 H GLY A 66 5.712 20.325 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.615 20.743 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.653 19.623 -0.790 1.00 0.00 H new ATOM 635 N ILE A 67 4.113 17.732 1.036 1.00 0.00 N ATOM 636 CA ILE A 67 3.138 16.669 1.157 1.00 0.00 C ATOM 637 C ILE A 67 1.977 17.134 2.026 1.00 0.00 C ATOM 638 O ILE A 67 2.187 17.638 3.132 1.00 0.00 O ATOM 639 CB ILE A 67 3.773 15.395 1.757 1.00 0.00 C ATOM 640 CG1 ILE A 67 4.933 14.928 0.875 1.00 0.00 C ATOM 641 CG2 ILE A 67 2.734 14.288 1.898 1.00 0.00 C ATOM 642 CD1 ILE A 67 5.545 13.620 1.319 1.00 0.00 C ATOM 0 H ILE A 67 4.901 17.656 1.680 1.00 0.00 H new ATOM 0 HA ILE A 67 2.771 16.424 0.160 1.00 0.00 H new ATOM 0 HB ILE A 67 4.154 15.630 2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.579 14.824 -0.151 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.706 15.697 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.203 13.400 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.932 14.624 2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.323 14.047 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.360 13.353 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.930 13.724 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.786 12.838 1.298 1.00 0.00 H new ATOM 654 N PRO A 68 0.737 16.999 1.522 1.00 0.00 N ATOM 655 CA PRO A 68 -0.463 17.444 2.237 1.00 0.00 C ATOM 656 C PRO A 68 -0.605 16.782 3.604 1.00 0.00 C ATOM 657 O PRO A 68 -0.032 15.721 3.862 1.00 0.00 O ATOM 658 CB PRO A 68 -1.616 17.017 1.321 1.00 0.00 C ATOM 659 CG PRO A 68 -1.004 16.866 -0.026 1.00 0.00 C ATOM 660 CD PRO A 68 0.404 16.399 0.215 1.00 0.00 C ATOM 0 HA PRO A 68 -0.435 18.515 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.062 16.082 1.659 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.410 17.764 1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.557 16.146 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.015 17.811 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.469 15.311 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.081 16.739 -0.569 1.00 0.00 H new ATOM 668 N SER A 69 -1.389 17.409 4.464 1.00 0.00 N ATOM 669 CA SER A 69 -1.594 16.928 5.815 1.00 0.00 C ATOM 670 C SER A 69 -2.550 15.744 5.800 1.00 0.00 C ATOM 671 O SER A 69 -3.505 15.727 5.018 1.00 0.00 O ATOM 672 CB SER A 69 -2.147 18.065 6.672 1.00 0.00 C ATOM 673 OG SER A 69 -3.187 18.752 5.993 1.00 0.00 O ATOM 0 H SER A 69 -1.900 18.264 4.244 1.00 0.00 H new ATOM 0 HA SER A 69 -0.647 16.595 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.524 17.666 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.346 18.762 6.919 1.00 0.00 H new ATOM 0 HG SER A 69 -3.527 19.474 6.561 1.00 0.00 H new ATOM 679 N PRO A 70 -2.300 14.729 6.649 1.00 0.00 N ATOM 680 CA PRO A 70 -3.117 13.517 6.677 1.00 0.00 C ATOM 681 C PRO A 70 -4.571 13.833 6.979 1.00 0.00 C ATOM 682 O PRO A 70 -4.894 14.442 7.999 1.00 0.00 O ATOM 683 CB PRO A 70 -2.498 12.674 7.798 1.00 0.00 C ATOM 684 CG PRO A 70 -1.689 13.632 8.606 1.00 0.00 C ATOM 685 CD PRO A 70 -1.223 14.690 7.646 1.00 0.00 C ATOM 0 HA PRO A 70 -3.122 13.003 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.269 12.199 8.405 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.875 11.876 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.285 14.067 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.843 13.130 9.075 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.094 15.654 8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.265 14.432 7.195 1.00 0.00 H new ATOM 693 N THR A 71 -5.435 13.419 6.076 1.00 0.00 N ATOM 694 CA THR A 71 -6.849 13.701 6.190 1.00 0.00 C ATOM 695 C THR A 71 -7.662 12.590 5.544 1.00 0.00 C ATOM 696 O THR A 71 -7.104 11.635 4.998 1.00 0.00 O ATOM 697 CB THR A 71 -7.186 15.062 5.533 1.00 0.00 C ATOM 698 OG1 THR A 71 -8.542 15.441 5.813 1.00 0.00 O ATOM 699 CG2 THR A 71 -6.971 15.003 4.026 1.00 0.00 C ATOM 0 H THR A 71 -5.179 12.881 5.248 1.00 0.00 H new ATOM 0 HA THR A 71 -7.106 13.754 7.248 1.00 0.00 H new ATOM 0 HB THR A 71 -6.516 15.810 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.734 16.304 5.391 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.214 15.970 3.586 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.929 14.760 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.616 14.236 3.596 1.00 0.00 H new ATOM 707 N THR A 72 -8.971 12.726 5.593 1.00 0.00 N ATOM 708 CA THR A 72 -9.862 11.720 5.067 1.00 0.00 C ATOM 709 C THR A 72 -10.898 12.342 4.140 1.00 0.00 C ATOM 710 O THR A 72 -11.579 13.306 4.499 1.00 0.00 O ATOM 711 CB THR A 72 -10.571 10.960 6.205 1.00 0.00 C ATOM 712 OG1 THR A 72 -11.099 11.885 7.164 1.00 0.00 O ATOM 713 CG2 THR A 72 -9.610 10.005 6.896 1.00 0.00 C ATOM 0 H THR A 72 -9.443 13.535 5.997 1.00 0.00 H new ATOM 0 HA THR A 72 -9.259 11.013 4.497 1.00 0.00 H new ATOM 0 HB THR A 72 -11.388 10.384 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.586 12.597 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.132 9.479 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.232 9.282 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.776 10.568 7.316 1.00 0.00 H new ATOM 721 N THR A 73 -10.980 11.802 2.939 1.00 0.00 N ATOM 722 CA THR A 73 -12.010 12.187 1.994 1.00 0.00 C ATOM 723 C THR A 73 -13.296 11.457 2.355 1.00 0.00 C ATOM 724 O THR A 73 -13.298 10.659 3.295 1.00 0.00 O ATOM 725 CB THR A 73 -11.598 11.880 0.539 1.00 0.00 C ATOM 726 OG1 THR A 73 -11.444 10.473 0.353 1.00 0.00 O ATOM 727 CG2 THR A 73 -10.294 12.583 0.194 1.00 0.00 C ATOM 0 H THR A 73 -10.339 11.088 2.593 1.00 0.00 H new ATOM 0 HA THR A 73 -12.161 13.265 2.056 1.00 0.00 H new ATOM 0 HB THR A 73 -12.385 12.246 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.184 10.292 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.019 12.355 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.421 13.660 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.507 12.239 0.864 1.00 0.00 H new ATOM 735 N ARG A 74 -14.381 11.723 1.640 1.00 0.00 N ATOM 736 CA ARG A 74 -15.678 11.170 2.010 1.00 0.00 C ATOM 737 C ARG A 74 -15.629 9.647 2.126 1.00 0.00 C ATOM 738 O ARG A 74 -16.171 9.083 3.076 1.00 0.00 O ATOM 739 CB ARG A 74 -16.762 11.567 1.005 1.00 0.00 C ATOM 740 CG ARG A 74 -18.108 10.934 1.320 1.00 0.00 C ATOM 741 CD ARG A 74 -19.172 11.282 0.292 1.00 0.00 C ATOM 742 NE ARG A 74 -20.460 10.687 0.644 1.00 0.00 N ATOM 743 CZ ARG A 74 -21.376 10.304 -0.243 1.00 0.00 C ATOM 744 NH1 ARG A 74 -21.152 10.446 -1.544 1.00 0.00 N ATOM 745 NH2 ARG A 74 -22.514 9.766 0.173 1.00 0.00 N ATOM 0 H ARG A 74 -14.390 12.313 0.808 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.928 11.588 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.867 12.652 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.450 11.271 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.994 9.851 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.438 11.263 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.275 12.365 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.861 10.928 -0.691 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.671 10.557 1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -20.274 10.851 -1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.858 10.150 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.687 9.646 1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.217 9.472 -0.505 1.00 0.00 H new ATOM 759 N TYR A 75 -14.980 8.979 1.184 1.00 0.00 N ATOM 760 CA TYR A 75 -14.930 7.525 1.212 1.00 0.00 C ATOM 761 C TYR A 75 -13.755 7.007 2.037 1.00 0.00 C ATOM 762 O TYR A 75 -13.770 5.863 2.480 1.00 0.00 O ATOM 763 CB TYR A 75 -14.853 6.963 -0.207 1.00 0.00 C ATOM 764 CG TYR A 75 -15.996 7.400 -1.098 1.00 0.00 C ATOM 765 CD1 TYR A 75 -15.754 8.060 -2.292 1.00 0.00 C ATOM 766 CD2 TYR A 75 -17.317 7.158 -0.740 1.00 0.00 C ATOM 767 CE1 TYR A 75 -16.791 8.465 -3.108 1.00 0.00 C ATOM 768 CE2 TYR A 75 -18.362 7.559 -1.552 1.00 0.00 C ATOM 769 CZ TYR A 75 -18.090 8.213 -2.736 1.00 0.00 C ATOM 770 OH TYR A 75 -19.126 8.611 -3.552 1.00 0.00 O ATOM 0 H TYR A 75 -14.488 9.412 0.402 1.00 0.00 H new ATOM 0 HA TYR A 75 -15.849 7.183 1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.912 7.273 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.839 5.874 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -14.736 8.261 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -17.531 6.648 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -16.583 8.978 -4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -19.383 7.362 -1.262 1.00 0.00 H new ATOM 0 HH TYR A 75 -19.980 8.356 -3.144 1.00 0.00 H new ATOM 780 N VAL A 76 -12.756 7.845 2.278 1.00 0.00 N ATOM 781 CA VAL A 76 -11.570 7.396 3.002 1.00 0.00 C ATOM 782 C VAL A 76 -11.827 7.408 4.500 1.00 0.00 C ATOM 783 O VAL A 76 -12.259 8.412 5.063 1.00 0.00 O ATOM 784 CB VAL A 76 -10.328 8.261 2.689 1.00 0.00 C ATOM 785 CG1 VAL A 76 -9.175 7.912 3.623 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.899 8.073 1.246 1.00 0.00 C ATOM 0 H VAL A 76 -12.739 8.823 1.990 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.364 6.379 2.668 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.598 9.306 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.312 8.533 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.476 8.091 4.655 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.911 6.862 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.023 8.690 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.653 7.025 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.712 8.369 0.583 1.00 0.00 H new ATOM 796 N SER A 77 -11.558 6.274 5.133 1.00 0.00 N ATOM 797 CA SER A 77 -11.833 6.108 6.549 1.00 0.00 C ATOM 798 C SER A 77 -10.667 6.622 7.383 1.00 0.00 C ATOM 799 O SER A 77 -10.867 7.319 8.379 1.00 0.00 O ATOM 800 CB SER A 77 -12.114 4.634 6.868 1.00 0.00 C ATOM 801 OG SER A 77 -12.485 4.461 8.228 1.00 0.00 O ATOM 0 H SER A 77 -11.148 5.455 4.684 1.00 0.00 H new ATOM 0 HA SER A 77 -12.718 6.692 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.911 4.266 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.227 4.038 6.652 1.00 0.00 H new ATOM 0 HG SER A 77 -12.812 3.547 8.364 1.00 0.00 H new ATOM 807 N ALA A 78 -9.448 6.293 6.965 1.00 0.00 N ATOM 808 CA ALA A 78 -8.256 6.687 7.698 1.00 0.00 C ATOM 809 C ALA A 78 -7.004 6.362 6.902 1.00 0.00 C ATOM 810 O ALA A 78 -6.943 5.343 6.213 1.00 0.00 O ATOM 811 CB ALA A 78 -8.205 5.993 9.048 1.00 0.00 C ATOM 0 H ALA A 78 -9.263 5.753 6.120 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.299 7.764 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.306 6.301 9.582 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.084 6.266 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.188 4.913 8.902 1.00 0.00 H new ATOM 817 N MET A 79 -6.014 7.237 7.005 1.00 0.00 N ATOM 818 CA MET A 79 -4.739 7.052 6.329 1.00 0.00 C ATOM 819 C MET A 79 -3.656 7.896 6.990 1.00 0.00 C ATOM 820 O MET A 79 -3.898 9.035 7.392 1.00 0.00 O ATOM 821 CB MET A 79 -4.841 7.406 4.841 1.00 0.00 C ATOM 822 CG MET A 79 -5.386 8.801 4.560 1.00 0.00 C ATOM 823 SD MET A 79 -5.100 9.335 2.858 1.00 0.00 S ATOM 824 CE MET A 79 -5.835 7.988 1.933 1.00 0.00 C ATOM 0 H MET A 79 -6.072 8.092 7.558 1.00 0.00 H new ATOM 0 HA MET A 79 -4.471 5.999 6.412 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.852 7.318 4.391 1.00 0.00 H new ATOM 0 HB3 MET A 79 -5.481 6.674 4.349 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.456 8.816 4.766 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.920 9.512 5.242 1.00 0.00 H new ATOM 0 HE1 MET A 79 -6.342 8.385 1.053 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.055 7.293 1.620 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.556 7.465 2.562 1.00 0.00 H new ATOM 834 N SER A 80 -2.470 7.327 7.100 1.00 0.00 N ATOM 835 CA SER A 80 -1.340 8.016 7.702 1.00 0.00 C ATOM 836 C SER A 80 -0.148 7.986 6.754 1.00 0.00 C ATOM 837 O SER A 80 0.011 7.033 5.993 1.00 0.00 O ATOM 838 CB SER A 80 -0.969 7.353 9.031 1.00 0.00 C ATOM 839 OG SER A 80 -2.101 7.239 9.877 1.00 0.00 O ATOM 0 H SER A 80 -2.262 6.382 6.778 1.00 0.00 H new ATOM 0 HA SER A 80 -1.617 9.053 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.550 6.364 8.843 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.196 7.938 9.529 1.00 0.00 H new ATOM 0 HG SER A 80 -1.839 6.811 10.719 1.00 0.00 H new ATOM 845 N VAL A 81 0.680 9.019 6.796 1.00 0.00 N ATOM 846 CA VAL A 81 1.842 9.105 5.923 1.00 0.00 C ATOM 847 C VAL A 81 3.101 9.249 6.765 1.00 0.00 C ATOM 848 O VAL A 81 3.300 10.273 7.420 1.00 0.00 O ATOM 849 CB VAL A 81 1.743 10.310 4.959 1.00 0.00 C ATOM 850 CG1 VAL A 81 2.867 10.281 3.930 1.00 0.00 C ATOM 851 CG2 VAL A 81 0.384 10.347 4.277 1.00 0.00 C ATOM 0 H VAL A 81 0.568 9.812 7.428 1.00 0.00 H new ATOM 0 HA VAL A 81 1.881 8.192 5.329 1.00 0.00 H new ATOM 0 HB VAL A 81 1.851 11.221 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.774 11.139 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.829 10.321 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.803 9.362 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.338 11.203 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.238 9.429 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.399 10.435 5.030 1.00 0.00 H new ATOM 861 N ALA A 82 3.947 8.234 6.748 1.00 0.00 N ATOM 862 CA ALA A 82 5.145 8.231 7.563 1.00 0.00 C ATOM 863 C ALA A 82 6.347 7.786 6.746 1.00 0.00 C ATOM 864 O ALA A 82 6.470 6.616 6.380 1.00 0.00 O ATOM 865 CB ALA A 82 4.960 7.325 8.768 1.00 0.00 C ATOM 0 H ALA A 82 3.824 7.399 6.176 1.00 0.00 H new ATOM 0 HA ALA A 82 5.326 9.247 7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.868 7.332 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.123 7.683 9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.756 6.309 8.431 1.00 0.00 H new ATOM 871 N LYS A 83 7.236 8.734 6.501 1.00 0.00 N ATOM 872 CA LYS A 83 8.462 8.495 5.737 1.00 0.00 C ATOM 873 C LYS A 83 8.130 7.872 4.371 1.00 0.00 C ATOM 874 O LYS A 83 8.819 6.966 3.900 1.00 0.00 O ATOM 875 CB LYS A 83 9.403 7.572 6.530 1.00 0.00 C ATOM 876 CG LYS A 83 9.536 7.956 8.000 1.00 0.00 C ATOM 877 CD LYS A 83 10.182 9.317 8.166 1.00 0.00 C ATOM 878 CE LYS A 83 9.960 9.893 9.551 1.00 0.00 C ATOM 879 NZ LYS A 83 10.421 11.301 9.631 1.00 0.00 N ATOM 0 H LYS A 83 7.133 9.696 6.825 1.00 0.00 H new ATOM 0 HA LYS A 83 8.962 9.449 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.036 6.548 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.390 7.589 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.550 7.961 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.130 7.205 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.252 9.235 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.778 10.002 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.901 9.840 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.493 9.291 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.240 11.672 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.440 11.344 9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.906 11.875 8.933 1.00 0.00 H new ATOM 893 N GLY A 84 7.059 8.366 3.756 1.00 0.00 N ATOM 894 CA GLY A 84 6.590 7.850 2.475 1.00 0.00 C ATOM 895 C GLY A 84 5.701 6.625 2.616 1.00 0.00 C ATOM 896 O GLY A 84 4.886 6.336 1.741 1.00 0.00 O ATOM 0 H GLY A 84 6.496 9.130 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.039 8.633 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.450 7.598 1.854 1.00 0.00 H new ATOM 900 N VAL A 85 5.867 5.911 3.716 1.00 0.00 N ATOM 901 CA VAL A 85 5.027 4.765 4.030 1.00 0.00 C ATOM 902 C VAL A 85 3.639 5.241 4.418 1.00 0.00 C ATOM 903 O VAL A 85 3.506 6.202 5.166 1.00 0.00 O ATOM 904 CB VAL A 85 5.634 3.931 5.179 1.00 0.00 C ATOM 905 CG1 VAL A 85 4.779 2.712 5.489 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.056 3.515 4.836 1.00 0.00 C ATOM 0 H VAL A 85 6.584 6.107 4.415 1.00 0.00 H new ATOM 0 HA VAL A 85 4.964 4.132 3.145 1.00 0.00 H new ATOM 0 HB VAL A 85 5.658 4.555 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.234 2.146 6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.780 3.034 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.709 2.081 4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.471 2.928 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.050 2.915 3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.668 4.404 4.681 1.00 0.00 H new ATOM 916 N VAL A 86 2.599 4.585 3.924 1.00 0.00 N ATOM 917 CA VAL A 86 1.246 5.040 4.181 1.00 0.00 C ATOM 918 C VAL A 86 0.360 3.869 4.601 1.00 0.00 C ATOM 919 O VAL A 86 0.261 2.854 3.907 1.00 0.00 O ATOM 920 CB VAL A 86 0.615 5.773 2.966 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.388 7.040 2.642 1.00 0.00 C ATOM 922 CG2 VAL A 86 0.543 4.877 1.743 1.00 0.00 C ATOM 0 H VAL A 86 2.667 3.745 3.349 1.00 0.00 H new ATOM 0 HA VAL A 86 1.310 5.763 4.994 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.404 6.041 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.929 7.538 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.370 7.707 3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.420 6.785 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.096 5.427 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.548 4.558 1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.066 4.002 1.969 1.00 0.00 H new ATOM 932 N SER A 87 -0.222 3.997 5.775 1.00 0.00 N ATOM 933 CA SER A 87 -1.135 2.989 6.277 1.00 0.00 C ATOM 934 C SER A 87 -2.592 3.411 6.114 1.00 0.00 C ATOM 935 O SER A 87 -2.995 4.497 6.535 1.00 0.00 O ATOM 936 CB SER A 87 -0.819 2.701 7.746 1.00 0.00 C ATOM 937 OG SER A 87 -0.557 3.903 8.456 1.00 0.00 O ATOM 0 H SER A 87 -0.080 4.790 6.401 1.00 0.00 H new ATOM 0 HA SER A 87 -0.997 2.081 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.657 2.178 8.206 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.045 2.039 7.813 1.00 0.00 H new ATOM 0 HG SER A 87 -0.359 3.693 9.393 1.00 0.00 H new ATOM 943 N LEU A 88 -3.359 2.536 5.473 1.00 0.00 N ATOM 944 CA LEU A 88 -4.783 2.751 5.252 1.00 0.00 C ATOM 945 C LEU A 88 -5.555 1.894 6.247 1.00 0.00 C ATOM 946 O LEU A 88 -5.322 0.688 6.330 1.00 0.00 O ATOM 947 CB LEU A 88 -5.200 2.358 3.818 1.00 0.00 C ATOM 948 CG LEU A 88 -4.501 3.076 2.644 1.00 0.00 C ATOM 949 CD1 LEU A 88 -4.548 4.584 2.809 1.00 0.00 C ATOM 950 CD2 LEU A 88 -3.061 2.602 2.467 1.00 0.00 C ATOM 0 H LEU A 88 -3.010 1.657 5.092 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.003 3.810 5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.034 1.287 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.273 2.526 3.723 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.052 2.815 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.047 5.058 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.586 4.914 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.045 4.865 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.604 3.131 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.497 2.805 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.053 1.531 2.266 1.00 0.00 H new ATOM 962 N THR A 89 -6.461 2.494 6.998 1.00 0.00 N ATOM 963 CA THR A 89 -7.139 1.766 8.057 1.00 0.00 C ATOM 964 C THR A 89 -8.658 1.757 7.861 1.00 0.00 C ATOM 965 O THR A 89 -9.259 2.785 7.542 1.00 0.00 O ATOM 966 CB THR A 89 -6.801 2.370 9.434 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.394 2.637 9.517 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.197 1.421 10.558 1.00 0.00 C ATOM 0 H THR A 89 -6.742 3.469 6.898 1.00 0.00 H new ATOM 0 HA THR A 89 -6.784 0.736 8.014 1.00 0.00 H new ATOM 0 HB THR A 89 -7.363 3.298 9.543 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.185 3.022 10.394 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.948 1.871 11.519 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.269 1.231 10.513 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.657 0.480 10.447 1.00 0.00 H new ATOM 976 N GLY A 90 -9.253 0.575 8.052 1.00 0.00 N ATOM 977 CA GLY A 90 -10.699 0.410 7.982 1.00 0.00 C ATOM 978 C GLY A 90 -11.315 0.980 6.723 1.00 0.00 C ATOM 979 O GLY A 90 -12.398 1.557 6.758 1.00 0.00 O ATOM 0 H GLY A 90 -8.745 -0.286 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.938 -0.652 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.153 0.891 8.848 1.00 0.00 H new ATOM 983 N GLN A 91 -10.639 0.803 5.609 1.00 0.00 N ATOM 984 CA GLN A 91 -11.069 1.407 4.361 1.00 0.00 C ATOM 985 C GLN A 91 -12.150 0.553 3.705 1.00 0.00 C ATOM 986 O GLN A 91 -11.961 -0.644 3.508 1.00 0.00 O ATOM 987 CB GLN A 91 -9.853 1.568 3.444 1.00 0.00 C ATOM 988 CG GLN A 91 -10.086 2.439 2.222 1.00 0.00 C ATOM 989 CD GLN A 91 -10.743 3.758 2.569 1.00 0.00 C ATOM 990 OE1 GLN A 91 -10.079 4.712 2.968 1.00 0.00 O ATOM 991 NE2 GLN A 91 -12.046 3.835 2.374 1.00 0.00 N ATOM 0 H GLN A 91 -9.788 0.245 5.539 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.500 2.390 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.033 1.992 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.532 0.580 3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.133 2.630 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.712 1.901 1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.561 3.020 2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -12.538 4.710 2.555 1.00 0.00 H new ATOM 1000 N GLU A 92 -13.279 1.179 3.372 1.00 0.00 N ATOM 1001 CA GLU A 92 -14.412 0.477 2.770 1.00 0.00 C ATOM 1002 C GLU A 92 -14.924 -0.608 3.716 1.00 0.00 C ATOM 1003 O GLU A 92 -14.972 -0.412 4.929 1.00 0.00 O ATOM 1004 CB GLU A 92 -14.017 -0.132 1.419 1.00 0.00 C ATOM 1005 CG GLU A 92 -13.545 0.895 0.406 1.00 0.00 C ATOM 1006 CD GLU A 92 -14.563 1.988 0.175 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -15.493 1.779 -0.626 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -14.439 3.061 0.800 1.00 0.00 O ATOM 0 H GLU A 92 -13.433 2.178 3.510 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.212 1.197 2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.226 -0.865 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -14.872 -0.670 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.611 1.339 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.330 0.397 -0.539 1.00 0.00 H new ATOM 1015 N SER A 93 -15.306 -1.749 3.156 1.00 0.00 N ATOM 1016 CA SER A 93 -15.747 -2.895 3.941 1.00 0.00 C ATOM 1017 C SER A 93 -14.623 -3.438 4.825 1.00 0.00 C ATOM 1018 O SER A 93 -14.864 -4.238 5.725 1.00 0.00 O ATOM 1019 CB SER A 93 -16.224 -4.002 3.006 1.00 0.00 C ATOM 1020 OG SER A 93 -17.126 -3.499 2.036 1.00 0.00 O ATOM 0 H SER A 93 -15.319 -1.906 2.148 1.00 0.00 H new ATOM 0 HA SER A 93 -16.561 -2.564 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.367 -4.456 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.709 -4.787 3.585 1.00 0.00 H new ATOM 0 HG SER A 93 -17.928 -4.061 2.013 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.400 -2.991 4.569 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.215 -3.556 5.202 1.00 0.00 C ATOM 1028 C LEU A 94 -12.008 -2.983 6.602 1.00 0.00 C ATOM 1029 O LEU A 94 -10.883 -2.706 7.012 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.982 -3.297 4.337 1.00 0.00 C ATOM 1031 CG LEU A 94 -11.116 -3.700 2.864 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.854 -3.337 2.104 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.411 -5.186 2.728 1.00 0.00 C ATOM 0 H LEU A 94 -13.202 -2.230 3.920 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.364 -4.631 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.742 -2.235 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.137 -3.835 4.768 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.955 -3.151 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.962 -3.628 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.689 -2.261 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.003 -3.860 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.501 -5.444 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.599 -5.760 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.345 -5.420 3.240 1.00 0.00 H new ATOM 1045 N ASN A 95 -13.105 -2.767 7.309 1.00 0.00 N ATOM 1046 CA ASN A 95 -13.063 -2.325 8.697 1.00 0.00 C ATOM 1047 C ASN A 95 -12.211 -3.279 9.537 1.00 0.00 C ATOM 1048 O ASN A 95 -12.363 -4.499 9.454 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.484 -2.248 9.257 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.532 -1.787 10.702 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -13.691 -1.007 11.149 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -15.518 -2.272 11.443 1.00 0.00 N ATOM 0 H ASN A 95 -14.048 -2.892 6.940 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.610 -1.335 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.073 -1.565 8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.952 -3.229 9.180 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.600 -2.001 12.423 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.194 -2.916 11.033 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.320 -2.709 10.341 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.396 -3.507 11.125 1.00 0.00 C ATOM 1061 C GLY A 96 -9.111 -3.819 10.378 1.00 0.00 C ATOM 1062 O GLY A 96 -8.090 -4.146 10.988 1.00 0.00 O ATOM 0 H GLY A 96 -11.221 -1.701 10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.156 -2.977 12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.881 -4.440 11.411 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.163 -3.720 9.061 1.00 0.00 N ATOM 1067 CA LEU A 97 -8.024 -4.049 8.221 1.00 0.00 C ATOM 1068 C LEU A 97 -7.130 -2.828 8.045 1.00 0.00 C ATOM 1069 O LEU A 97 -7.610 -1.696 7.976 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.533 -4.576 6.869 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.475 -4.995 5.842 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.044 -6.056 4.914 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -7.018 -3.804 5.018 1.00 0.00 C ATOM 0 H LEU A 97 -9.988 -3.412 8.547 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.424 -4.827 8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.177 -5.434 7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.156 -3.804 6.418 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.619 -5.398 6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.286 -6.348 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.343 -6.927 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.912 -5.654 4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.267 -4.127 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.871 -3.379 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.587 -3.050 5.677 1.00 0.00 H new ATOM 1085 N SER A 98 -5.831 -3.061 8.008 1.00 0.00 N ATOM 1086 CA SER A 98 -4.871 -2.000 7.780 1.00 0.00 C ATOM 1087 C SER A 98 -3.914 -2.394 6.656 1.00 0.00 C ATOM 1088 O SER A 98 -3.300 -3.462 6.699 1.00 0.00 O ATOM 1089 CB SER A 98 -4.098 -1.712 9.069 1.00 0.00 C ATOM 1090 OG SER A 98 -4.988 -1.458 10.146 1.00 0.00 O ATOM 0 H SER A 98 -5.415 -3.984 8.134 1.00 0.00 H new ATOM 0 HA SER A 98 -5.400 -1.095 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.459 -2.561 9.312 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.444 -0.853 8.922 1.00 0.00 H new ATOM 0 HG SER A 98 -4.473 -1.278 10.960 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.818 -1.550 5.641 1.00 0.00 N ATOM 1097 CA VAL A 99 -2.905 -1.787 4.532 1.00 0.00 C ATOM 1098 C VAL A 99 -1.654 -0.946 4.722 1.00 0.00 C ATOM 1099 O VAL A 99 -1.748 0.253 4.979 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.544 -1.438 3.167 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.572 -1.691 2.025 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -4.825 -2.222 2.952 1.00 0.00 C ATOM 0 H VAL A 99 -4.363 -0.691 5.561 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.661 -2.849 4.527 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.787 -0.376 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.049 -1.437 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.683 -1.075 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.286 -2.743 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.255 -1.959 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.606 -3.290 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.536 -1.982 3.743 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.488 -1.565 4.603 1.00 0.00 N ATOM 1113 CA VAL A 100 0.760 -0.854 4.821 1.00 0.00 C ATOM 1114 C VAL A 100 1.543 -0.743 3.519 1.00 0.00 C ATOM 1115 O VAL A 100 2.122 -1.719 3.045 1.00 0.00 O ATOM 1116 CB VAL A 100 1.637 -1.546 5.890 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.877 -0.714 6.190 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.838 -1.791 7.163 1.00 0.00 C ATOM 0 H VAL A 100 -0.382 -2.550 4.359 1.00 0.00 H new ATOM 0 HA VAL A 100 0.504 0.142 5.182 1.00 0.00 H new ATOM 0 HB VAL A 100 1.958 -2.510 5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.480 -1.219 6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.463 -0.593 5.279 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.577 0.266 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.473 -2.279 7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.484 -0.839 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.016 -2.431 6.939 1.00 0.00 H new ATOM 1128 N MET A 101 1.534 0.444 2.939 1.00 0.00 N ATOM 1129 CA MET A 101 2.280 0.705 1.715 1.00 0.00 C ATOM 1130 C MET A 101 3.673 1.215 2.064 1.00 0.00 C ATOM 1131 O MET A 101 3.816 2.325 2.570 1.00 0.00 O ATOM 1132 CB MET A 101 1.550 1.742 0.865 1.00 0.00 C ATOM 1133 CG MET A 101 2.211 2.016 -0.475 1.00 0.00 C ATOM 1134 SD MET A 101 1.855 0.743 -1.699 1.00 0.00 S ATOM 1135 CE MET A 101 0.076 0.912 -1.852 1.00 0.00 C ATOM 0 H MET A 101 1.017 1.247 3.296 1.00 0.00 H new ATOM 0 HA MET A 101 2.364 -0.221 1.147 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.529 1.402 0.692 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.485 2.675 1.424 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.873 2.981 -0.852 1.00 0.00 H new ATOM 0 HG3 MET A 101 3.290 2.089 -0.335 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.224 0.685 -2.875 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.415 0.220 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.215 1.933 -1.606 1.00 0.00 H new ATOM 1145 N THR A 102 4.687 0.407 1.799 1.00 0.00 N ATOM 1146 CA THR A 102 6.055 0.750 2.163 1.00 0.00 C ATOM 1147 C THR A 102 6.938 0.928 0.919 1.00 0.00 C ATOM 1148 O THR A 102 7.465 -0.043 0.379 1.00 0.00 O ATOM 1149 CB THR A 102 6.664 -0.336 3.076 1.00 0.00 C ATOM 1150 OG1 THR A 102 5.773 -0.606 4.169 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.019 0.096 3.620 1.00 0.00 C ATOM 0 H THR A 102 4.589 -0.494 1.332 1.00 0.00 H new ATOM 0 HA THR A 102 6.020 1.697 2.702 1.00 0.00 H new ATOM 0 HB THR A 102 6.805 -1.238 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.162 -1.297 4.745 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.422 -0.690 4.259 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.703 0.276 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.903 1.012 4.200 1.00 0.00 H new ATOM 1159 N PRO A 103 7.075 2.170 0.430 1.00 0.00 N ATOM 1160 CA PRO A 103 7.974 2.491 -0.687 1.00 0.00 C ATOM 1161 C PRO A 103 9.449 2.340 -0.316 1.00 0.00 C ATOM 1162 O PRO A 103 9.880 2.762 0.760 1.00 0.00 O ATOM 1163 CB PRO A 103 7.657 3.956 -1.000 1.00 0.00 C ATOM 1164 CG PRO A 103 7.079 4.498 0.262 1.00 0.00 C ATOM 1165 CD PRO A 103 6.343 3.356 0.903 1.00 0.00 C ATOM 0 HA PRO A 103 7.820 1.817 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.555 4.502 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.951 4.040 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 103 7.862 4.876 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.406 5.330 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.356 3.429 1.990 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.297 3.331 0.598 1.00 0.00 H new ATOM 1173 N GLY A 104 10.210 1.728 -1.209 1.00 0.00 N ATOM 1174 CA GLY A 104 11.633 1.585 -1.007 1.00 0.00 C ATOM 1175 C GLY A 104 12.421 2.494 -1.922 1.00 0.00 C ATOM 1176 O GLY A 104 12.012 2.746 -3.057 1.00 0.00 O ATOM 0 H GLY A 104 9.861 1.324 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.878 1.812 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.924 0.549 -1.184 1.00 0.00 H new ATOM 1291 N GLY A 113 10.308 0.814 -5.369 1.00 0.00 N ATOM 1292 CA GLY A 113 8.917 0.511 -5.612 1.00 0.00 C ATOM 1293 C GLY A 113 8.100 0.570 -4.341 1.00 0.00 C ATOM 1294 O GLY A 113 8.621 0.922 -3.285 1.00 0.00 O ATOM 0 HA2 GLY A 113 8.512 1.217 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.833 -0.482 -6.053 1.00 0.00 H new ATOM 1298 N TRP A 114 6.828 0.224 -4.435 1.00 0.00 N ATOM 1299 CA TRP A 114 5.941 0.283 -3.286 1.00 0.00 C ATOM 1300 C TRP A 114 5.569 -1.119 -2.826 1.00 0.00 C ATOM 1301 O TRP A 114 5.021 -1.906 -3.599 1.00 0.00 O ATOM 1302 CB TRP A 114 4.676 1.071 -3.639 1.00 0.00 C ATOM 1303 CG TRP A 114 4.960 2.473 -4.089 1.00 0.00 C ATOM 1304 CD1 TRP A 114 5.023 3.586 -3.304 1.00 0.00 C ATOM 1305 CD2 TRP A 114 5.224 2.910 -5.429 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.318 4.688 -4.070 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.446 4.299 -5.378 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.301 2.260 -6.664 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.736 5.049 -6.517 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 5.587 3.005 -7.791 1.00 0.00 C ATOM 1311 CH2 TRP A 114 5.805 4.386 -7.711 1.00 0.00 C ATOM 0 H TRP A 114 6.386 -0.101 -5.295 1.00 0.00 H new ATOM 0 HA TRP A 114 6.461 0.789 -2.473 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.136 0.546 -4.427 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.020 1.101 -2.769 1.00 0.00 H new ATOM 0 HD1 TRP A 114 4.864 3.600 -2.236 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.424 5.641 -3.722 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.140 1.195 -6.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.900 6.115 -6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.644 2.514 -8.751 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.032 4.939 -8.611 1.00 0.00 H new ATOM 1322 N ALA A 115 5.865 -1.423 -1.569 1.00 0.00 N ATOM 1323 CA ALA A 115 5.538 -2.719 -0.999 1.00 0.00 C ATOM 1324 C ALA A 115 4.181 -2.664 -0.321 1.00 0.00 C ATOM 1325 O ALA A 115 3.893 -1.734 0.430 1.00 0.00 O ATOM 1326 CB ALA A 115 6.611 -3.151 -0.010 1.00 0.00 C ATOM 0 H ALA A 115 6.333 -0.786 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 115 5.497 -3.454 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.351 -4.124 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.571 -3.221 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.681 -2.418 0.794 1.00 0.00 H new ATOM 1332 N ARG A 116 3.349 -3.650 -0.588 1.00 0.00 N ATOM 1333 CA ARG A 116 1.990 -3.653 -0.072 1.00 0.00 C ATOM 1334 C ARG A 116 1.762 -4.810 0.886 1.00 0.00 C ATOM 1335 O ARG A 116 2.293 -5.903 0.695 1.00 0.00 O ATOM 1336 CB ARG A 116 0.999 -3.715 -1.231 1.00 0.00 C ATOM 1337 CG ARG A 116 1.044 -2.479 -2.110 1.00 0.00 C ATOM 1338 CD ARG A 116 0.255 -2.658 -3.394 1.00 0.00 C ATOM 1339 NE ARG A 116 0.863 -3.653 -4.274 1.00 0.00 N ATOM 1340 CZ ARG A 116 1.805 -3.375 -5.173 1.00 0.00 C ATOM 1341 NH1 ARG A 116 2.271 -2.136 -5.295 1.00 0.00 N ATOM 1342 NH2 ARG A 116 2.287 -4.337 -5.944 1.00 0.00 N ATOM 0 H ARG A 116 3.587 -4.461 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 116 1.834 -2.730 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.212 -4.595 -1.838 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.009 -3.837 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.646 -1.628 -1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.081 -2.246 -2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.764 -2.960 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.190 -1.703 -3.916 1.00 0.00 H new ATOM 0 HE ARG A 116 0.547 -4.619 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 116 1.907 -1.393 -4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 116 2.993 -1.928 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.937 -5.290 -5.849 1.00 0.00 H new ATOM 0 HH22 ARG A 116 3.009 -4.125 -6.633 1.00 0.00 H new ATOM 1356 N ASN A 117 0.999 -4.553 1.937 1.00 0.00 N ATOM 1357 CA ASN A 117 0.661 -5.587 2.901 1.00 0.00 C ATOM 1358 C ASN A 117 -0.745 -5.373 3.450 1.00 0.00 C ATOM 1359 O ASN A 117 -1.152 -4.240 3.702 1.00 0.00 O ATOM 1360 CB ASN A 117 1.666 -5.591 4.055 1.00 0.00 C ATOM 1361 CG ASN A 117 1.471 -6.777 4.978 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.715 -6.709 5.946 1.00 0.00 O ATOM 1363 ND2 ASN A 117 2.157 -7.872 4.690 1.00 0.00 N ATOM 0 H ASN A 117 0.602 -3.636 2.144 1.00 0.00 H new ATOM 0 HA ASN A 117 0.698 -6.549 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.679 -5.608 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.565 -4.668 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.069 -8.699 5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.774 -7.889 3.878 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.479 -6.461 3.621 1.00 0.00 N ATOM 1371 CA CYS A 118 -2.792 -6.413 4.246 1.00 0.00 C ATOM 1372 C CYS A 118 -2.739 -7.018 5.642 1.00 0.00 C ATOM 1373 O CYS A 118 -2.470 -8.211 5.794 1.00 0.00 O ATOM 1374 CB CYS A 118 -3.819 -7.182 3.415 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.485 -6.281 1.984 1.00 0.00 S ATOM 0 H CYS A 118 -1.185 -7.395 3.334 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.090 -5.366 4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.359 -8.105 3.061 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.648 -7.467 4.063 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.002 -6.210 6.658 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.050 -6.720 8.017 1.00 0.00 C ATOM 1382 C ASN A 119 -4.482 -6.693 8.526 1.00 0.00 C ATOM 1383 O ASN A 119 -5.016 -5.636 8.873 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.145 -5.882 8.931 1.00 0.00 C ATOM 1385 CG ASN A 119 -1.970 -6.477 10.323 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -2.851 -7.160 10.847 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -0.825 -6.216 10.935 1.00 0.00 N ATOM 0 H ASN A 119 -3.183 -5.210 6.568 1.00 0.00 H new ATOM 0 HA ASN A 119 -2.691 -7.749 8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -1.166 -5.778 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.563 -4.879 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.651 -6.584 11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.117 -5.647 10.471 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.109 -7.855 8.529 1.00 0.00 N ATOM 1395 CA ILE A 120 -6.427 -8.027 9.112 1.00 0.00 C ATOM 1396 C ILE A 120 -6.474 -9.349 9.887 1.00 0.00 C ATOM 1397 O ILE A 120 -6.607 -10.426 9.301 1.00 0.00 O ATOM 1398 CB ILE A 120 -7.534 -7.958 8.031 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -8.917 -8.235 8.625 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.239 -8.912 6.882 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.371 -7.230 9.663 1.00 0.00 C ATOM 0 H ILE A 120 -4.718 -8.707 8.127 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.617 -7.209 9.807 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.540 -6.942 7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -9.647 -8.257 7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -8.912 -9.227 9.077 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.033 -8.842 6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.287 -8.645 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.186 -9.933 7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.360 -7.506 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -8.666 -7.222 10.495 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -9.414 -6.238 9.214 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.343 -9.273 11.202 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.149 -10.468 12.013 1.00 0.00 C ATOM 1415 C GLN A 121 -7.446 -11.262 12.191 1.00 0.00 C ATOM 1416 O GLN A 121 -7.425 -12.493 12.246 1.00 0.00 O ATOM 1417 CB GLN A 121 -5.567 -10.091 13.375 1.00 0.00 C ATOM 1418 CG GLN A 121 -5.013 -11.274 14.147 1.00 0.00 C ATOM 1419 CD GLN A 121 -4.500 -10.891 15.519 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -4.043 -9.656 15.662 1.00 0.00 O flip ATOM 1421 NE2 GLN A 121 -4.514 -11.700 16.448 1.00 0.00 N flip ATOM 0 H GLN A 121 -6.367 -8.401 11.730 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.446 -11.111 11.484 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.773 -9.358 13.231 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.342 -9.609 13.971 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -5.792 -12.029 14.253 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -4.204 -11.728 13.575 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.874 -12.642 16.298 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.165 -11.427 17.367 1.00 0.00 H new ATOM 1430 N SER A 122 -8.571 -10.566 12.282 1.00 0.00 N ATOM 1431 CA SER A 122 -9.834 -11.212 12.625 1.00 0.00 C ATOM 1432 C SER A 122 -10.674 -11.579 11.400 1.00 0.00 C ATOM 1433 O SER A 122 -11.672 -12.285 11.529 1.00 0.00 O ATOM 1434 CB SER A 122 -10.644 -10.293 13.541 1.00 0.00 C ATOM 1435 OG SER A 122 -10.832 -9.019 12.939 1.00 0.00 O ATOM 0 H SER A 122 -8.637 -9.560 12.125 1.00 0.00 H new ATOM 0 HA SER A 122 -9.587 -12.145 13.132 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.612 -10.746 13.754 1.00 0.00 H new ATOM 0 HB3 SER A 122 -10.129 -10.177 14.495 1.00 0.00 H new ATOM 0 HG SER A 122 -11.472 -9.097 12.201 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.285 -11.117 10.220 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.143 -11.266 9.044 1.00 0.00 C ATOM 1443 C ASP A 123 -10.343 -11.553 7.777 1.00 0.00 C ATOM 1444 O ASP A 123 -10.014 -10.640 7.018 1.00 0.00 O ATOM 1445 CB ASP A 123 -11.994 -10.010 8.831 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.003 -9.779 9.937 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -12.664 -9.092 10.928 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -14.142 -10.278 9.821 1.00 0.00 O ATOM 0 H ASP A 123 -9.398 -10.644 10.048 1.00 0.00 H new ATOM 0 HA ASP A 123 -11.790 -12.121 9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.338 -9.142 8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.520 -10.092 7.880 1.00 0.00 H new ATOM 1453 N SER A 124 -10.047 -12.824 7.541 1.00 0.00 N ATOM 1454 CA SER A 124 -9.346 -13.244 6.332 1.00 0.00 C ATOM 1455 C SER A 124 -10.137 -12.889 5.068 1.00 0.00 C ATOM 1456 O SER A 124 -9.556 -12.667 4.006 1.00 0.00 O ATOM 1457 CB SER A 124 -9.088 -14.752 6.380 1.00 0.00 C ATOM 1458 OG SER A 124 -8.422 -15.114 7.580 1.00 0.00 O ATOM 0 H SER A 124 -10.283 -13.588 8.175 1.00 0.00 H new ATOM 0 HA SER A 124 -8.397 -12.710 6.292 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.034 -15.289 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.486 -15.050 5.521 1.00 0.00 H new ATOM 0 HG SER A 124 -8.269 -16.082 7.590 1.00 0.00 H new ATOM 1464 N ALA A 125 -11.462 -12.825 5.194 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.331 -12.519 4.062 1.00 0.00 C ATOM 1466 C ALA A 125 -12.056 -11.124 3.511 1.00 0.00 C ATOM 1467 O ALA A 125 -12.096 -10.902 2.300 1.00 0.00 O ATOM 1468 CB ALA A 125 -13.788 -12.646 4.468 1.00 0.00 C ATOM 0 H ALA A 125 -11.957 -12.982 6.072 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.118 -13.239 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.425 -12.415 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -13.985 -13.664 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.002 -11.950 5.279 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.769 -10.187 4.404 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.476 -8.821 4.002 1.00 0.00 C ATOM 1476 C LEU A 126 -10.135 -8.762 3.288 1.00 0.00 C ATOM 1477 O LEU A 126 -9.937 -7.959 2.375 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.471 -7.896 5.218 1.00 0.00 C ATOM 1479 CG LEU A 126 -12.799 -7.811 5.974 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.675 -6.871 7.163 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.918 -7.356 5.050 1.00 0.00 C ATOM 0 H LEU A 126 -11.733 -10.349 5.410 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.254 -8.485 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.698 -8.234 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.191 -6.894 4.892 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.046 -8.806 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.628 -6.822 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.905 -7.241 7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.403 -5.875 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.852 -7.303 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.680 -6.372 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.025 -8.067 4.231 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.225 -9.636 3.695 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.916 -9.711 3.072 1.00 0.00 C ATOM 1495 C GLN A 127 -8.052 -10.109 1.614 1.00 0.00 C ATOM 1496 O GLN A 127 -7.383 -9.554 0.752 1.00 0.00 O ATOM 1497 CB GLN A 127 -7.024 -10.707 3.810 1.00 0.00 C ATOM 1498 CG GLN A 127 -5.655 -10.890 3.172 1.00 0.00 C ATOM 1499 CD GLN A 127 -4.736 -11.775 3.996 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -4.924 -11.775 5.307 1.00 0.00 O flip ATOM 1501 NE2 GLN A 127 -3.863 -12.452 3.460 1.00 0.00 N flip ATOM 0 H GLN A 127 -9.371 -10.302 4.454 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.451 -8.727 3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -6.894 -10.372 4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -7.528 -11.672 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.777 -11.324 2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.188 -9.914 3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.748 -12.426 2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.253 -13.040 4.028 1.00 0.00 H new ATOM 1510 N GLN A 128 -8.950 -11.050 1.347 1.00 0.00 N ATOM 1511 CA GLN A 128 -9.206 -11.515 -0.013 1.00 0.00 C ATOM 1512 C GLN A 128 -9.542 -10.355 -0.942 1.00 0.00 C ATOM 1513 O GLN A 128 -9.160 -10.351 -2.114 1.00 0.00 O ATOM 1514 CB GLN A 128 -10.356 -12.521 -0.023 1.00 0.00 C ATOM 1515 CG GLN A 128 -9.996 -13.865 0.583 1.00 0.00 C ATOM 1516 CD GLN A 128 -8.903 -14.587 -0.188 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -8.850 -14.381 -1.494 1.00 0.00 O flip ATOM 1518 NE2 GLN A 128 -8.119 -15.339 0.391 1.00 0.00 N flip ATOM 0 H GLN A 128 -9.517 -11.509 2.059 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.296 -11.996 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -11.200 -12.100 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -10.686 -12.672 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -9.671 -13.718 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -10.886 -14.493 0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.191 -15.473 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -7.397 -15.829 -0.138 1.00 0.00 H new ATOM 1527 N ALA A 129 -10.267 -9.378 -0.416 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.655 -8.216 -1.194 1.00 0.00 C ATOM 1529 C ALA A 129 -9.480 -7.270 -1.400 1.00 0.00 C ATOM 1530 O ALA A 129 -9.212 -6.834 -2.519 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.807 -7.488 -0.518 1.00 0.00 C ATOM 0 H ALA A 129 -10.598 -9.370 0.549 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.982 -8.563 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -12.087 -6.619 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.661 -8.159 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.499 -7.163 0.476 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.774 -6.962 -0.319 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.693 -5.988 -0.378 1.00 0.00 C ATOM 1539 C CYS A 130 -6.494 -6.537 -1.142 1.00 0.00 C ATOM 1540 O CYS A 130 -5.903 -5.830 -1.955 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.274 -5.557 1.031 1.00 0.00 C ATOM 1542 SG CYS A 130 -6.433 -6.850 1.991 1.00 0.00 S ATOM 0 H CYS A 130 -8.929 -7.370 0.603 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.064 -5.115 -0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -6.615 -4.693 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -8.160 -5.234 1.578 1.00 0.00 H new ATOM 1547 N GLU A 131 -6.153 -7.804 -0.896 1.00 0.00 N ATOM 1548 CA GLU A 131 -5.003 -8.429 -1.539 1.00 0.00 C ATOM 1549 C GLU A 131 -5.187 -8.484 -3.048 1.00 0.00 C ATOM 1550 O GLU A 131 -4.223 -8.595 -3.784 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.727 -9.835 -0.987 1.00 0.00 C ATOM 1552 CG GLU A 131 -5.726 -10.891 -1.434 1.00 0.00 C ATOM 1553 CD GLU A 131 -5.267 -12.301 -1.117 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -4.690 -12.958 -2.012 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -5.472 -12.758 0.025 1.00 0.00 O ATOM 0 H GLU A 131 -6.660 -8.415 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 131 -4.137 -7.808 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.728 -10.144 -1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.726 -9.791 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -6.684 -10.707 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.890 -10.799 -2.508 1.00 0.00 H new ATOM 1562 N ASP A 132 -6.428 -8.451 -3.502 1.00 0.00 N ATOM 1563 CA ASP A 132 -6.700 -8.478 -4.932 1.00 0.00 C ATOM 1564 C ASP A 132 -6.185 -7.202 -5.597 1.00 0.00 C ATOM 1565 O ASP A 132 -5.484 -7.254 -6.604 1.00 0.00 O ATOM 1566 CB ASP A 132 -8.198 -8.638 -5.196 1.00 0.00 C ATOM 1567 CG ASP A 132 -8.490 -9.039 -6.629 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -9.087 -10.117 -6.835 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -8.123 -8.290 -7.558 1.00 0.00 O ATOM 0 H ASP A 132 -7.257 -8.406 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 132 -6.179 -9.334 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.605 -9.390 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.706 -7.700 -4.973 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.531 -6.054 -5.027 1.00 0.00 N ATOM 1575 CA VAL A 133 -6.113 -4.770 -5.585 1.00 0.00 C ATOM 1576 C VAL A 133 -4.698 -4.407 -5.137 1.00 0.00 C ATOM 1577 O VAL A 133 -3.851 -4.021 -5.944 1.00 0.00 O ATOM 1578 CB VAL A 133 -7.087 -3.646 -5.178 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.592 -2.293 -5.665 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.476 -3.931 -5.722 1.00 0.00 C ATOM 0 H VAL A 133 -7.098 -5.984 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.123 -4.871 -6.670 1.00 0.00 H new ATOM 0 HB VAL A 133 -7.136 -3.615 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -7.297 -1.518 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.615 -2.084 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.508 -2.306 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.154 -3.130 -5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.436 -3.991 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.837 -4.878 -5.320 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.455 -4.565 -3.848 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.180 -4.224 -3.225 1.00 0.00 C ATOM 1592 C PHE A 134 -2.197 -5.382 -3.337 1.00 0.00 C ATOM 1593 O PHE A 134 -1.279 -5.502 -2.529 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.374 -3.808 -1.764 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.150 -2.525 -1.613 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.517 -2.545 -1.372 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -3.513 -1.297 -1.724 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -6.230 -1.367 -1.244 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -4.221 -0.117 -1.595 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.580 -0.152 -1.354 1.00 0.00 C ATOM 0 H PHE A 134 -5.143 -4.938 -3.193 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.761 -3.372 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.893 -4.605 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.398 -3.693 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.030 -3.491 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -2.450 -1.263 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -7.294 -1.396 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -3.712 0.831 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.135 0.769 -1.252 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.420 -6.231 -4.336 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.713 -7.502 -4.471 1.00 0.00 C ATOM 1612 C ARG A 135 -0.204 -7.318 -4.371 1.00 0.00 C ATOM 1613 O ARG A 135 0.367 -6.355 -4.894 1.00 0.00 O ATOM 1614 CB ARG A 135 -2.084 -8.175 -5.801 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.794 -7.328 -7.030 1.00 0.00 C ATOM 1616 CD ARG A 135 -2.265 -8.016 -8.305 1.00 0.00 C ATOM 1617 NE ARG A 135 -3.717 -8.213 -8.325 1.00 0.00 N ATOM 1618 CZ ARG A 135 -4.385 -8.781 -9.330 1.00 0.00 C ATOM 1619 NH1 ARG A 135 -3.732 -9.237 -10.391 1.00 0.00 N ATOM 1620 NH2 ARG A 135 -5.708 -8.901 -9.269 1.00 0.00 N ATOM 0 H ARG A 135 -3.098 -6.057 -5.078 1.00 0.00 H new ATOM 0 HA ARG A 135 -2.021 -8.146 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -1.538 -9.115 -5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -3.145 -8.423 -5.786 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -2.289 -6.362 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -0.724 -7.133 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -1.969 -7.419 -9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -1.768 -8.981 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 135 -4.252 -7.895 -7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -2.717 -9.154 -10.440 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -4.245 -9.671 -11.158 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -6.214 -8.558 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -6.217 -9.336 -10.039 1.00 0.00 H new