USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 20 SER OG : rot 180:sc=-0.00383 USER MOD Set 1.2: A 28 SER OG : rot -150:sc= -0.84 USER MOD Set 2.1: A 15 TYR OH : rot 69:sc= 1.21 USER MOD Set 2.2: A 70 CYS SG : rot -87:sc= 1.68 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.02) USER MOD Single : A 25 CYS SG : rot -69:sc= -3.76! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.219 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 51 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.3) USER MOD Single : A 54 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.033) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.0328 F(o=-0.98,f=-0.033) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc=-0.00827 (180deg=-0.133) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -54:sc= 0.212 USER MOD Single : A 75 HIS : no HE2:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -4.163 -0.421 -18.103 1.00 0.00 N ATOM 2 CA PRO A 1 -4.248 -1.552 -17.140 1.00 0.00 C ATOM 3 C PRO A 1 -2.886 -2.218 -16.922 1.00 0.00 C ATOM 4 O PRO A 1 -2.516 -3.153 -17.636 1.00 0.00 O ATOM 5 CB PRO A 1 -5.257 -2.554 -17.700 1.00 0.00 C ATOM 6 CG PRO A 1 -5.803 -1.889 -18.920 1.00 0.00 C ATOM 7 CD PRO A 1 -4.763 -0.887 -19.362 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.193 -0.141 -18.247 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.660 0.396 -17.746 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.568 -1.183 -16.166 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.780 -3.503 -17.945 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -6.045 -2.770 -16.979 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -5.998 -2.619 -19.706 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -6.750 -1.395 -18.702 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.019 -1.345 -20.014 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.212 -0.065 -19.919 1.00 0.00 H new ATOM 17 N ARG A 2 -2.145 -1.726 -15.929 1.00 0.00 N ATOM 18 CA ARG A 2 -0.823 -2.263 -15.607 1.00 0.00 C ATOM 19 C ARG A 2 -0.483 -2.027 -14.131 1.00 0.00 C ATOM 20 O ARG A 2 -1.326 -1.569 -13.357 1.00 0.00 O ATOM 21 CB ARG A 2 0.240 -1.622 -16.508 1.00 0.00 C ATOM 22 CG ARG A 2 1.197 -2.626 -17.136 1.00 0.00 C ATOM 23 CD ARG A 2 2.270 -1.931 -17.965 1.00 0.00 C ATOM 24 NE ARG A 2 3.618 -2.359 -17.594 1.00 0.00 N ATOM 25 CZ ARG A 2 4.294 -1.876 -16.547 1.00 0.00 C ATOM 26 NH1 ARG A 2 3.748 -0.954 -15.757 1.00 0.00 N ATOM 27 NH2 ARG A 2 5.521 -2.319 -16.287 1.00 0.00 N ATOM 0 H ARG A 2 -2.439 -0.953 -15.332 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.836 -3.338 -15.785 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -0.257 -1.063 -17.301 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.814 -0.903 -15.923 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.668 -3.220 -16.353 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.638 -3.317 -17.767 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.102 -2.140 -19.022 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.185 -0.852 -17.836 1.00 0.00 H new ATOM 0 HE ARG A 2 4.070 -3.070 -18.169 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.807 -0.611 -15.949 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.271 -0.591 -14.960 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.945 -3.027 -16.886 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.038 -1.951 -15.488 1.00 0.00 H new ATOM 41 N VAL A 3 0.755 -2.346 -13.748 1.00 0.00 N ATOM 42 CA VAL A 3 1.206 -2.173 -12.368 1.00 0.00 C ATOM 43 C VAL A 3 2.015 -0.884 -12.209 1.00 0.00 C ATOM 44 O VAL A 3 2.868 -0.569 -13.043 1.00 0.00 O ATOM 45 CB VAL A 3 2.062 -3.372 -11.901 1.00 0.00 C ATOM 46 CG1 VAL A 3 2.384 -3.259 -10.419 1.00 0.00 C ATOM 47 CG2 VAL A 3 1.358 -4.691 -12.200 1.00 0.00 C ATOM 0 H VAL A 3 1.463 -2.726 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 3 0.312 -2.113 -11.747 1.00 0.00 H new ATOM 0 HB VAL A 3 3.000 -3.355 -12.456 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.987 -4.113 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.939 -2.339 -10.236 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.457 -3.244 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 3 1.980 -5.520 -11.862 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.401 -4.719 -11.679 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.189 -4.778 -13.273 1.00 0.00 H new ATOM 57 N ARG A 4 1.742 -0.145 -11.132 1.00 0.00 N ATOM 58 CA ARG A 4 2.440 1.112 -10.855 1.00 0.00 C ATOM 59 C ARG A 4 2.863 1.203 -9.385 1.00 0.00 C ATOM 60 O ARG A 4 2.526 0.336 -8.577 1.00 0.00 O ATOM 61 CB ARG A 4 1.547 2.304 -11.219 1.00 0.00 C ATOM 62 CG ARG A 4 0.268 2.387 -10.398 1.00 0.00 C ATOM 63 CD ARG A 4 -0.678 3.453 -10.934 1.00 0.00 C ATOM 64 NE ARG A 4 0.006 4.721 -11.195 1.00 0.00 N ATOM 65 CZ ARG A 4 0.390 5.576 -10.241 1.00 0.00 C ATOM 66 NH1 ARG A 4 0.165 5.301 -8.959 1.00 0.00 N ATOM 67 NH2 ARG A 4 1.000 6.710 -10.573 1.00 0.00 N ATOM 0 H ARG A 4 1.040 -0.396 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 4 3.341 1.137 -11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.114 3.225 -11.085 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.286 2.241 -12.275 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.233 1.419 -10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.516 2.609 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.141 3.096 -11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.482 3.617 -10.216 1.00 0.00 H new ATOM 0 HE ARG A 4 0.202 4.968 -12.165 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.303 4.433 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.461 5.958 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.174 6.927 -11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.293 7.363 -9.846 1.00 0.00 H new ATOM 81 N SER A 5 3.608 2.259 -9.047 1.00 0.00 N ATOM 82 CA SER A 5 4.082 2.463 -7.677 1.00 0.00 C ATOM 83 C SER A 5 3.541 3.768 -7.090 1.00 0.00 C ATOM 84 O SER A 5 3.303 4.734 -7.818 1.00 0.00 O ATOM 85 CB SER A 5 5.613 2.473 -7.641 1.00 0.00 C ATOM 86 OG SER A 5 6.155 1.475 -8.491 1.00 0.00 O ATOM 0 H SER A 5 3.895 2.985 -9.703 1.00 0.00 H new ATOM 0 HA SER A 5 3.712 1.636 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.980 3.453 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.956 2.309 -6.619 1.00 0.00 H new ATOM 0 HG SER A 5 7.134 1.506 -8.449 1.00 0.00 H new ATOM 92 N VAL A 6 3.353 3.784 -5.767 1.00 0.00 N ATOM 93 CA VAL A 6 2.844 4.966 -5.070 1.00 0.00 C ATOM 94 C VAL A 6 3.729 5.323 -3.873 1.00 0.00 C ATOM 95 O VAL A 6 4.106 4.451 -3.088 1.00 0.00 O ATOM 96 CB VAL A 6 1.393 4.752 -4.580 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.856 6.007 -3.901 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.492 4.341 -5.736 1.00 0.00 C ATOM 0 H VAL A 6 3.547 2.989 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 6 2.858 5.787 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 6 1.400 3.947 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.166 5.830 -3.566 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.482 6.253 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.867 6.836 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.525 4.195 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.496 5.122 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.859 3.411 -6.170 1.00 0.00 H new ATOM 108 N GLU A 7 4.052 6.611 -3.742 1.00 0.00 N ATOM 109 CA GLU A 7 4.891 7.092 -2.646 1.00 0.00 C ATOM 110 C GLU A 7 4.054 7.829 -1.600 1.00 0.00 C ATOM 111 O GLU A 7 3.657 8.978 -1.810 1.00 0.00 O ATOM 112 CB GLU A 7 5.985 8.017 -3.184 1.00 0.00 C ATOM 113 CG GLU A 7 7.237 7.281 -3.634 1.00 0.00 C ATOM 114 CD GLU A 7 8.408 8.207 -3.917 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.491 9.280 -3.284 1.00 0.00 O ATOM 116 OE2 GLU A 7 9.244 7.853 -4.773 1.00 0.00 O ATOM 0 H GLU A 7 3.743 7.341 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 7 5.355 6.228 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.587 8.587 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.254 8.736 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.526 6.565 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.010 6.708 -4.533 1.00 0.00 H new ATOM 123 N VAL A 8 3.792 7.166 -0.474 1.00 0.00 N ATOM 124 CA VAL A 8 3.002 7.760 0.602 1.00 0.00 C ATOM 125 C VAL A 8 3.902 8.389 1.668 1.00 0.00 C ATOM 126 O VAL A 8 4.835 7.752 2.163 1.00 0.00 O ATOM 127 CB VAL A 8 2.078 6.719 1.268 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.084 7.401 2.196 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.348 5.893 0.216 1.00 0.00 C ATOM 0 H VAL A 8 4.116 6.218 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 8 2.387 8.537 0.148 1.00 0.00 H new ATOM 0 HB VAL A 8 2.697 6.046 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.441 6.650 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.624 7.942 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.473 8.100 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.702 5.166 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.743 6.551 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.075 5.371 -0.406 1.00 0.00 H new ATOM 139 N ALA A 9 3.612 9.643 2.014 1.00 0.00 N ATOM 140 CA ALA A 9 4.384 10.373 3.014 1.00 0.00 C ATOM 141 C ALA A 9 3.791 10.197 4.408 1.00 0.00 C ATOM 142 O ALA A 9 2.925 10.967 4.828 1.00 0.00 O ATOM 143 CB ALA A 9 4.449 11.851 2.650 1.00 0.00 C ATOM 0 H ALA A 9 2.841 10.176 1.612 1.00 0.00 H new ATOM 0 HA ALA A 9 5.394 9.964 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.027 12.386 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.926 11.965 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.440 12.260 2.609 1.00 0.00 H new ATOM 149 N ARG A 10 4.265 9.179 5.122 1.00 0.00 N ATOM 150 CA ARG A 10 3.789 8.896 6.476 1.00 0.00 C ATOM 151 C ARG A 10 3.943 10.124 7.371 1.00 0.00 C ATOM 152 O ARG A 10 5.042 10.660 7.521 1.00 0.00 O ATOM 153 CB ARG A 10 4.555 7.715 7.082 1.00 0.00 C ATOM 154 CG ARG A 10 3.885 7.119 8.311 1.00 0.00 C ATOM 155 CD ARG A 10 4.902 6.757 9.382 1.00 0.00 C ATOM 156 NE ARG A 10 4.293 6.657 10.707 1.00 0.00 N ATOM 157 CZ ARG A 10 3.600 5.597 11.135 1.00 0.00 C ATOM 158 NH1 ARG A 10 3.407 4.547 10.336 1.00 0.00 N ATOM 159 NH2 ARG A 10 3.092 5.590 12.363 1.00 0.00 N ATOM 0 H ARG A 10 4.980 8.534 4.786 1.00 0.00 H new ATOM 0 HA ARG A 10 2.732 8.637 6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.665 6.938 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.559 8.043 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.167 7.832 8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.324 6.229 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.373 5.808 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.690 7.509 9.402 1.00 0.00 H new ATOM 0 HE ARG A 10 4.404 7.445 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.789 4.549 9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.877 3.742 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.231 6.392 12.977 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.563 4.782 12.691 1.00 0.00 H new ATOM 173 N GLY A 11 2.833 10.561 7.963 1.00 0.00 N ATOM 174 CA GLY A 11 2.860 11.721 8.837 1.00 0.00 C ATOM 175 C GLY A 11 3.476 11.408 10.188 1.00 0.00 C ATOM 176 O GLY A 11 4.698 11.299 10.309 1.00 0.00 O ATOM 0 H GLY A 11 1.915 10.131 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.425 12.521 8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.844 12.090 8.980 1.00 0.00 H new ATOM 180 N ARG A 12 2.629 11.258 11.202 1.00 0.00 N ATOM 181 CA ARG A 12 3.091 10.949 12.553 1.00 0.00 C ATOM 182 C ARG A 12 2.431 9.681 13.084 1.00 0.00 C ATOM 183 O ARG A 12 3.105 8.806 13.630 1.00 0.00 O ATOM 184 CB ARG A 12 2.827 12.128 13.495 1.00 0.00 C ATOM 185 CG ARG A 12 4.060 12.981 13.747 1.00 0.00 C ATOM 186 CD ARG A 12 3.835 14.434 13.356 1.00 0.00 C ATOM 187 NE ARG A 12 4.993 15.005 12.665 1.00 0.00 N ATOM 188 CZ ARG A 12 6.170 15.252 13.251 1.00 0.00 C ATOM 189 NH1 ARG A 12 6.355 14.975 14.540 1.00 0.00 N ATOM 190 NH2 ARG A 12 7.164 15.780 12.544 1.00 0.00 N ATOM 0 H ARG A 12 1.617 11.346 11.114 1.00 0.00 H new ATOM 0 HA ARG A 12 4.166 10.774 12.508 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.041 12.753 13.072 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.455 11.748 14.447 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.330 12.927 14.802 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.901 12.579 13.182 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.958 14.504 12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.621 15.020 14.250 1.00 0.00 H new ATOM 0 HE ARG A 12 4.896 15.228 11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.596 14.571 15.089 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.256 15.167 14.979 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.029 15.996 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.062 15.969 12.989 1.00 0.00 H new ATOM 204 N ALA A 13 1.115 9.579 12.916 1.00 0.00 N ATOM 205 CA ALA A 13 0.378 8.406 13.377 1.00 0.00 C ATOM 206 C ALA A 13 0.007 7.476 12.214 1.00 0.00 C ATOM 207 O ALA A 13 -1.027 6.804 12.252 1.00 0.00 O ATOM 208 CB ALA A 13 -0.871 8.830 14.140 1.00 0.00 C ATOM 0 H ALA A 13 0.539 10.291 12.466 1.00 0.00 H new ATOM 0 HA ALA A 13 1.031 7.848 14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.410 7.944 14.477 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.584 9.430 15.003 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.514 9.419 13.486 1.00 0.00 H new ATOM 214 N GLY A 14 0.857 7.437 11.184 1.00 0.00 N ATOM 215 CA GLY A 14 0.598 6.582 10.036 1.00 0.00 C ATOM 216 C GLY A 14 0.210 7.365 8.798 1.00 0.00 C ATOM 217 O GLY A 14 0.925 8.280 8.386 1.00 0.00 O ATOM 0 H GLY A 14 1.717 7.982 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.487 5.989 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.200 5.882 10.283 1.00 0.00 H new ATOM 221 N TYR A 15 -0.925 7.000 8.200 1.00 0.00 N ATOM 222 CA TYR A 15 -1.412 7.667 6.995 1.00 0.00 C ATOM 223 C TYR A 15 -2.895 8.009 7.118 1.00 0.00 C ATOM 224 O TYR A 15 -3.271 9.181 7.135 1.00 0.00 O ATOM 225 CB TYR A 15 -1.180 6.788 5.760 1.00 0.00 C ATOM 226 CG TYR A 15 0.182 6.129 5.713 1.00 0.00 C ATOM 227 CD1 TYR A 15 1.283 6.803 5.201 1.00 0.00 C ATOM 228 CD2 TYR A 15 0.365 4.831 6.174 1.00 0.00 C ATOM 229 CE1 TYR A 15 2.526 6.202 5.145 1.00 0.00 C ATOM 230 CE2 TYR A 15 1.605 4.225 6.126 1.00 0.00 C ATOM 231 CZ TYR A 15 2.681 4.914 5.610 1.00 0.00 C ATOM 232 OH TYR A 15 3.918 4.312 5.555 1.00 0.00 O ATOM 0 H TYR A 15 -1.524 6.244 8.532 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.852 8.595 6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.947 6.014 5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.307 7.397 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.166 7.814 4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.477 4.287 6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.371 6.738 4.739 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.731 3.216 6.491 1.00 0.00 H new ATOM 0 HH TYR A 15 4.521 4.744 6.196 1.00 0.00 H new ATOM 242 N GLY A 16 -3.730 6.975 7.200 1.00 0.00 N ATOM 243 CA GLY A 16 -5.166 7.179 7.315 1.00 0.00 C ATOM 244 C GLY A 16 -5.976 6.089 6.630 1.00 0.00 C ATOM 245 O GLY A 16 -7.054 5.724 7.100 1.00 0.00 O ATOM 0 H GLY A 16 -3.437 5.998 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.439 7.219 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.426 8.145 6.882 1.00 0.00 H new ATOM 249 N PHE A 17 -5.455 5.573 5.516 1.00 0.00 N ATOM 250 CA PHE A 17 -6.129 4.524 4.755 1.00 0.00 C ATOM 251 C PHE A 17 -6.230 3.223 5.557 1.00 0.00 C ATOM 252 O PHE A 17 -5.771 3.142 6.698 1.00 0.00 O ATOM 253 CB PHE A 17 -5.396 4.276 3.429 1.00 0.00 C ATOM 254 CG PHE A 17 -4.024 3.677 3.596 1.00 0.00 C ATOM 255 CD1 PHE A 17 -3.861 2.306 3.724 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.899 4.486 3.632 1.00 0.00 C ATOM 257 CE1 PHE A 17 -2.604 1.754 3.881 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.640 3.939 3.790 1.00 0.00 C ATOM 259 CZ PHE A 17 -1.492 2.572 3.917 1.00 0.00 C ATOM 0 H PHE A 17 -4.562 5.868 5.120 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.143 4.864 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.999 3.612 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.307 5.220 2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.727 1.662 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.008 5.556 3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.491 0.684 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.772 4.581 3.814 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.509 2.144 4.044 1.00 0.00 H new ATOM 269 N THR A 18 -6.841 2.210 4.947 1.00 0.00 N ATOM 270 CA THR A 18 -7.016 0.909 5.592 1.00 0.00 C ATOM 271 C THR A 18 -6.393 -0.211 4.759 1.00 0.00 C ATOM 272 O THR A 18 -6.431 -0.178 3.526 1.00 0.00 O ATOM 273 CB THR A 18 -8.505 0.621 5.816 1.00 0.00 C ATOM 274 OG1 THR A 18 -9.242 1.825 5.960 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.774 -0.228 7.040 1.00 0.00 C ATOM 0 H THR A 18 -7.225 2.265 4.004 1.00 0.00 H new ATOM 0 HA THR A 18 -6.507 0.945 6.555 1.00 0.00 H new ATOM 0 HB THR A 18 -8.823 0.070 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.189 1.614 6.100 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.847 -0.394 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.267 -1.187 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.402 0.285 7.927 1.00 0.00 H new ATOM 283 N LEU A 19 -5.823 -1.203 5.444 1.00 0.00 N ATOM 284 CA LEU A 19 -5.189 -2.338 4.779 1.00 0.00 C ATOM 285 C LEU A 19 -5.742 -3.660 5.298 1.00 0.00 C ATOM 286 O LEU A 19 -5.753 -3.908 6.506 1.00 0.00 O ATOM 287 CB LEU A 19 -3.676 -2.307 4.998 1.00 0.00 C ATOM 288 CG LEU A 19 -2.822 -2.628 3.768 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.351 -2.697 4.150 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.267 -3.937 3.131 1.00 0.00 C ATOM 0 H LEU A 19 -5.788 -1.242 6.463 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.407 -2.259 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.400 -1.317 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.427 -3.017 5.786 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.956 -1.830 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.756 -2.926 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.036 -1.738 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.205 -3.477 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.647 -4.146 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.163 -4.747 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.310 -3.856 2.824 1.00 0.00 H new ATOM 302 N SER A 20 -6.174 -4.515 4.375 1.00 0.00 N ATOM 303 CA SER A 20 -6.707 -5.828 4.729 1.00 0.00 C ATOM 304 C SER A 20 -6.451 -6.832 3.611 1.00 0.00 C ATOM 305 O SER A 20 -7.094 -6.787 2.561 1.00 0.00 O ATOM 306 CB SER A 20 -8.206 -5.758 5.022 1.00 0.00 C ATOM 307 OG SER A 20 -8.489 -4.842 6.066 1.00 0.00 O ATOM 0 H SER A 20 -6.165 -4.322 3.374 1.00 0.00 H new ATOM 0 HA SER A 20 -6.192 -6.157 5.631 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.741 -5.460 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.571 -6.748 5.296 1.00 0.00 H new ATOM 0 HG SER A 20 -9.455 -4.819 6.228 1.00 0.00 H new ATOM 313 N GLY A 21 -5.509 -7.738 3.847 1.00 0.00 N ATOM 314 CA GLY A 21 -5.179 -8.746 2.861 1.00 0.00 C ATOM 315 C GLY A 21 -4.401 -9.900 3.453 1.00 0.00 C ATOM 316 O GLY A 21 -3.187 -9.998 3.263 1.00 0.00 O ATOM 0 H GLY A 21 -4.966 -7.791 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.097 -9.124 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.595 -8.290 2.061 1.00 0.00 H new ATOM 320 N GLN A 22 -5.105 -10.775 4.173 1.00 0.00 N ATOM 321 CA GLN A 22 -4.482 -11.944 4.804 1.00 0.00 C ATOM 322 C GLN A 22 -3.543 -12.651 3.826 1.00 0.00 C ATOM 323 O GLN A 22 -2.418 -13.009 4.175 1.00 0.00 O ATOM 324 CB GLN A 22 -5.552 -12.923 5.304 1.00 0.00 C ATOM 325 CG GLN A 22 -5.293 -13.446 6.709 1.00 0.00 C ATOM 326 CD GLN A 22 -3.929 -14.099 6.844 1.00 0.00 C ATOM 327 OE1 GLN A 22 -3.743 -15.256 6.470 1.00 0.00 O ATOM 328 NE2 GLN A 22 -2.965 -13.357 7.380 1.00 0.00 N ATOM 0 H GLN A 22 -6.109 -10.698 4.335 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.899 -11.596 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.523 -12.428 5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.610 -13.767 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.370 -12.623 7.420 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.066 -14.168 6.973 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.162 -12.401 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.028 -13.743 7.494 1.00 0.00 H new ATOM 337 N ALA A 23 -4.017 -12.824 2.594 1.00 0.00 N ATOM 338 CA ALA A 23 -3.233 -13.458 1.539 1.00 0.00 C ATOM 339 C ALA A 23 -2.922 -12.447 0.431 1.00 0.00 C ATOM 340 O ALA A 23 -1.760 -12.103 0.213 1.00 0.00 O ATOM 341 CB ALA A 23 -3.959 -14.678 0.983 1.00 0.00 C ATOM 0 H ALA A 23 -4.949 -12.531 2.301 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.290 -13.801 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.356 -15.134 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.121 -15.401 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.920 -14.372 0.570 1.00 0.00 H new ATOM 347 N PRO A 24 -3.959 -11.940 -0.280 1.00 0.00 N ATOM 348 CA PRO A 24 -3.782 -10.960 -1.345 1.00 0.00 C ATOM 349 C PRO A 24 -3.832 -9.526 -0.818 1.00 0.00 C ATOM 350 O PRO A 24 -4.905 -8.927 -0.722 1.00 0.00 O ATOM 351 CB PRO A 24 -4.975 -11.247 -2.252 1.00 0.00 C ATOM 352 CG PRO A 24 -6.061 -11.684 -1.321 1.00 0.00 C ATOM 353 CD PRO A 24 -5.388 -12.270 -0.098 1.00 0.00 C ATOM 0 HA PRO A 24 -2.815 -11.040 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.268 -10.360 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.741 -12.023 -2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.695 -10.841 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.704 -12.423 -1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.783 -11.837 0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.544 -13.347 -0.035 1.00 0.00 H new ATOM 361 N CYS A 25 -2.664 -8.986 -0.469 1.00 0.00 N ATOM 362 CA CYS A 25 -2.569 -7.624 0.056 1.00 0.00 C ATOM 363 C CYS A 25 -3.311 -6.642 -0.850 1.00 0.00 C ATOM 364 O CYS A 25 -3.010 -6.535 -2.039 1.00 0.00 O ATOM 365 CB CYS A 25 -1.102 -7.206 0.192 1.00 0.00 C ATOM 366 SG CYS A 25 -0.145 -8.220 1.344 1.00 0.00 S ATOM 0 H CYS A 25 -1.770 -9.472 -0.541 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.034 -7.606 1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.631 -7.249 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.061 -6.167 0.520 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.551 -7.997 2.559 1.00 0.00 H new ATOM 372 N VAL A 26 -4.291 -5.941 -0.286 1.00 0.00 N ATOM 373 CA VAL A 26 -5.081 -4.979 -1.052 1.00 0.00 C ATOM 374 C VAL A 26 -5.520 -3.796 -0.192 1.00 0.00 C ATOM 375 O VAL A 26 -5.794 -3.948 1.001 1.00 0.00 O ATOM 376 CB VAL A 26 -6.327 -5.651 -1.671 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.263 -6.171 -0.587 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.052 -4.690 -2.601 1.00 0.00 C ATOM 0 H VAL A 26 -4.557 -6.020 0.695 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.438 -4.609 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.992 -6.505 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.132 -6.639 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.739 -6.905 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.589 -5.342 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.926 -5.184 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.369 -3.811 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.381 -4.386 -3.404 1.00 0.00 H new ATOM 388 N LEU A 27 -5.594 -2.617 -0.810 1.00 0.00 N ATOM 389 CA LEU A 27 -6.010 -1.411 -0.105 1.00 0.00 C ATOM 390 C LEU A 27 -7.529 -1.360 0.014 1.00 0.00 C ATOM 391 O LEU A 27 -8.217 -0.870 -0.883 1.00 0.00 O ATOM 392 CB LEU A 27 -5.494 -0.158 -0.822 1.00 0.00 C ATOM 393 CG LEU A 27 -4.469 0.663 -0.035 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.548 1.418 -0.981 1.00 0.00 C ATOM 395 CD2 LEU A 27 -5.172 1.626 0.912 1.00 0.00 C ATOM 0 H LEU A 27 -5.371 -2.475 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.581 -1.438 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.046 -0.458 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.344 0.482 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.862 -0.021 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.827 1.996 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.019 0.708 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.138 2.092 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.429 2.202 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.804 2.304 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.788 1.062 1.613 1.00 0.00 H new ATOM 407 N SER A 28 -8.042 -1.885 1.127 1.00 0.00 N ATOM 408 CA SER A 28 -9.483 -1.920 1.383 1.00 0.00 C ATOM 409 C SER A 28 -10.146 -0.576 1.088 1.00 0.00 C ATOM 410 O SER A 28 -11.189 -0.523 0.436 1.00 0.00 O ATOM 411 CB SER A 28 -9.751 -2.326 2.834 1.00 0.00 C ATOM 412 OG SER A 28 -9.665 -3.731 2.993 1.00 0.00 O ATOM 0 H SER A 28 -7.477 -2.295 1.871 1.00 0.00 H new ATOM 0 HA SER A 28 -9.918 -2.660 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.031 -1.838 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.741 -1.982 3.134 1.00 0.00 H new ATOM 0 HG SER A 28 -10.263 -4.016 3.715 1.00 0.00 H new ATOM 418 N CYS A 29 -9.535 0.506 1.568 1.00 0.00 N ATOM 419 CA CYS A 29 -10.069 1.850 1.349 1.00 0.00 C ATOM 420 C CYS A 29 -9.084 2.924 1.809 1.00 0.00 C ATOM 421 O CYS A 29 -8.207 2.665 2.635 1.00 0.00 O ATOM 422 CB CYS A 29 -11.402 2.024 2.084 1.00 0.00 C ATOM 423 SG CYS A 29 -12.481 3.286 1.369 1.00 0.00 S ATOM 0 H CYS A 29 -8.671 0.479 2.110 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.230 1.968 0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.930 1.070 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.200 2.281 3.124 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.582 3.357 2.057 1.00 0.00 H new ATOM 429 N VAL A 30 -9.245 4.134 1.272 1.00 0.00 N ATOM 430 CA VAL A 30 -8.382 5.259 1.625 1.00 0.00 C ATOM 431 C VAL A 30 -9.209 6.419 2.177 1.00 0.00 C ATOM 432 O VAL A 30 -10.388 6.564 1.845 1.00 0.00 O ATOM 433 CB VAL A 30 -7.563 5.751 0.408 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.627 6.884 0.807 1.00 0.00 C ATOM 435 CG2 VAL A 30 -6.779 4.603 -0.217 1.00 0.00 C ATOM 0 H VAL A 30 -9.968 4.359 0.589 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.691 4.906 2.390 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.262 6.132 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.062 7.213 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.211 7.718 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.938 6.533 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.211 4.973 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.094 4.186 0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.470 3.829 -0.549 1.00 0.00 H new ATOM 445 N MET A 31 -8.586 7.243 3.018 1.00 0.00 N ATOM 446 CA MET A 31 -9.262 8.388 3.609 1.00 0.00 C ATOM 447 C MET A 31 -8.836 9.675 2.919 1.00 0.00 C ATOM 448 O MET A 31 -7.760 10.215 3.187 1.00 0.00 O ATOM 449 CB MET A 31 -8.975 8.487 5.107 1.00 0.00 C ATOM 450 CG MET A 31 -9.334 7.235 5.891 1.00 0.00 C ATOM 451 SD MET A 31 -11.085 7.151 6.316 1.00 0.00 S ATOM 452 CE MET A 31 -10.994 7.070 8.104 1.00 0.00 C ATOM 0 H MET A 31 -7.613 7.136 3.303 1.00 0.00 H new ATOM 0 HA MET A 31 -10.334 8.246 3.471 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.916 8.701 5.250 1.00 0.00 H new ATOM 0 HB3 MET A 31 -9.529 9.331 5.517 1.00 0.00 H new ATOM 0 HG2 MET A 31 -9.065 6.356 5.305 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.741 7.202 6.805 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.001 7.014 8.517 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.430 6.185 8.400 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.495 7.962 8.484 1.00 0.00 H new ATOM 462 N ARG A 32 -9.695 10.148 2.027 1.00 0.00 N ATOM 463 CA ARG A 32 -9.445 11.378 1.268 1.00 0.00 C ATOM 464 C ARG A 32 -8.933 12.490 2.182 1.00 0.00 C ATOM 465 O ARG A 32 -9.605 12.882 3.138 1.00 0.00 O ATOM 466 CB ARG A 32 -10.719 11.841 0.551 1.00 0.00 C ATOM 467 CG ARG A 32 -11.990 11.646 1.365 1.00 0.00 C ATOM 468 CD ARG A 32 -13.155 12.437 0.786 1.00 0.00 C ATOM 469 NE ARG A 32 -14.411 11.689 0.849 1.00 0.00 N ATOM 470 CZ ARG A 32 -15.622 12.246 0.765 1.00 0.00 C ATOM 471 NH1 ARG A 32 -15.754 13.561 0.599 1.00 0.00 N ATOM 472 NH2 ARG A 32 -16.708 11.483 0.841 1.00 0.00 N ATOM 0 H ARG A 32 -10.583 9.697 1.805 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.680 11.158 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.619 12.897 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.814 11.297 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.246 10.587 1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.814 11.957 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.264 13.374 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.938 12.695 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.358 10.677 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.926 14.153 0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.683 13.976 0.536 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.615 10.475 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.634 11.906 0.777 1.00 0.00 H new ATOM 486 N GLY A 33 -7.732 12.982 1.888 1.00 0.00 N ATOM 487 CA GLY A 33 -7.136 14.032 2.695 1.00 0.00 C ATOM 488 C GLY A 33 -5.811 13.613 3.310 1.00 0.00 C ATOM 489 O GLY A 33 -5.023 14.462 3.729 1.00 0.00 O ATOM 0 H GLY A 33 -7.160 12.671 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.982 14.917 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.828 14.313 3.489 1.00 0.00 H new ATOM 493 N SER A 34 -5.558 12.305 3.354 1.00 0.00 N ATOM 494 CA SER A 34 -4.316 11.780 3.907 1.00 0.00 C ATOM 495 C SER A 34 -3.223 11.767 2.832 1.00 0.00 C ATOM 496 O SER A 34 -3.516 11.920 1.643 1.00 0.00 O ATOM 497 CB SER A 34 -4.548 10.369 4.469 1.00 0.00 C ATOM 498 OG SER A 34 -4.077 9.364 3.585 1.00 0.00 O ATOM 0 H SER A 34 -6.200 11.590 3.012 1.00 0.00 H new ATOM 0 HA SER A 34 -3.985 12.425 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.043 10.273 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.612 10.222 4.652 1.00 0.00 H new ATOM 0 HG SER A 34 -4.240 8.481 3.977 1.00 0.00 H new ATOM 504 N PRO A 35 -1.948 11.572 3.230 1.00 0.00 N ATOM 505 CA PRO A 35 -0.818 11.530 2.286 1.00 0.00 C ATOM 506 C PRO A 35 -0.989 10.459 1.205 1.00 0.00 C ATOM 507 O PRO A 35 -0.390 10.552 0.132 1.00 0.00 O ATOM 508 CB PRO A 35 0.394 11.206 3.174 1.00 0.00 C ATOM 509 CG PRO A 35 -0.176 10.692 4.452 1.00 0.00 C ATOM 510 CD PRO A 35 -1.504 11.371 4.618 1.00 0.00 C ATOM 0 HA PRO A 35 -0.722 12.469 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.038 10.462 2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.004 12.093 3.345 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.294 9.609 4.419 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.483 10.915 5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.205 10.755 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.410 12.316 5.153 1.00 0.00 H new ATOM 518 N ALA A 36 -1.813 9.446 1.491 1.00 0.00 N ATOM 519 CA ALA A 36 -2.065 8.367 0.538 1.00 0.00 C ATOM 520 C ALA A 36 -2.861 8.875 -0.663 1.00 0.00 C ATOM 521 O ALA A 36 -2.498 8.619 -1.813 1.00 0.00 O ATOM 522 CB ALA A 36 -2.798 7.216 1.218 1.00 0.00 C ATOM 0 H ALA A 36 -2.315 9.353 2.374 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.104 8.001 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.978 6.421 0.494 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.190 6.831 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.751 7.572 1.610 1.00 0.00 H new ATOM 528 N ASP A 37 -3.945 9.597 -0.386 1.00 0.00 N ATOM 529 CA ASP A 37 -4.798 10.148 -1.442 1.00 0.00 C ATOM 530 C ASP A 37 -4.076 11.249 -2.222 1.00 0.00 C ATOM 531 O ASP A 37 -4.377 11.485 -3.393 1.00 0.00 O ATOM 532 CB ASP A 37 -6.095 10.700 -0.848 1.00 0.00 C ATOM 533 CG ASP A 37 -7.323 10.226 -1.602 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.659 9.028 -1.501 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.952 11.056 -2.292 1.00 0.00 O ATOM 0 H ASP A 37 -4.255 9.815 0.561 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.035 9.338 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.172 10.395 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.062 11.789 -0.860 1.00 0.00 H new ATOM 540 N PHE A 38 -3.125 11.921 -1.568 1.00 0.00 N ATOM 541 CA PHE A 38 -2.360 12.998 -2.202 1.00 0.00 C ATOM 542 C PHE A 38 -1.640 12.511 -3.463 1.00 0.00 C ATOM 543 O PHE A 38 -1.363 13.302 -4.366 1.00 0.00 O ATOM 544 CB PHE A 38 -1.336 13.573 -1.220 1.00 0.00 C ATOM 545 CG PHE A 38 -1.932 14.379 -0.091 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.293 14.649 -0.037 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.119 14.866 0.920 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.826 15.388 1.001 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.649 15.605 1.961 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.004 15.866 2.001 1.00 0.00 C ATOM 0 H PHE A 38 -2.866 11.738 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.068 13.775 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.757 12.752 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.638 14.204 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.942 14.277 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.058 14.666 0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.886 15.592 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.004 15.978 2.742 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.420 16.443 2.813 1.00 0.00 H new ATOM 560 N VAL A 39 -1.335 11.214 -3.521 1.00 0.00 N ATOM 561 CA VAL A 39 -0.648 10.636 -4.675 1.00 0.00 C ATOM 562 C VAL A 39 -1.648 10.165 -5.728 1.00 0.00 C ATOM 563 O VAL A 39 -1.424 10.329 -6.929 1.00 0.00 O ATOM 564 CB VAL A 39 0.249 9.447 -4.267 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.140 9.027 -5.427 1.00 0.00 C ATOM 566 CG2 VAL A 39 1.083 9.790 -3.039 1.00 0.00 C ATOM 0 H VAL A 39 -1.553 10.545 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.021 11.423 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.396 8.607 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.765 8.188 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.520 8.728 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.774 9.864 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.706 8.936 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.718 10.648 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.422 10.031 -2.206 1.00 0.00 H new ATOM 576 N GLY A 40 -2.752 9.583 -5.267 1.00 0.00 N ATOM 577 CA GLY A 40 -3.777 9.098 -6.172 1.00 0.00 C ATOM 578 C GLY A 40 -4.179 7.662 -5.891 1.00 0.00 C ATOM 579 O GLY A 40 -4.318 6.859 -6.816 1.00 0.00 O ATOM 0 H GLY A 40 -2.954 9.439 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.656 9.738 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.416 9.175 -7.197 1.00 0.00 H new ATOM 583 N LEU A 41 -4.373 7.338 -4.613 1.00 0.00 N ATOM 584 CA LEU A 41 -4.768 5.996 -4.214 1.00 0.00 C ATOM 585 C LEU A 41 -6.282 5.842 -4.297 1.00 0.00 C ATOM 586 O LEU A 41 -7.030 6.762 -3.956 1.00 0.00 O ATOM 587 CB LEU A 41 -4.282 5.693 -2.794 1.00 0.00 C ATOM 588 CG LEU A 41 -2.871 5.102 -2.705 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.419 5.012 -1.255 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.823 3.732 -3.367 1.00 0.00 C ATOM 0 H LEU A 41 -4.262 7.991 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.306 5.284 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.311 6.614 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.981 4.999 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.187 5.764 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.415 4.590 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.413 6.008 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.105 4.373 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.813 3.328 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.520 3.061 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.102 3.825 -4.417 1.00 0.00 H new ATOM 602 N ARG A 42 -6.724 4.675 -4.753 1.00 0.00 N ATOM 603 CA ARG A 42 -8.143 4.386 -4.891 1.00 0.00 C ATOM 604 C ARG A 42 -8.438 2.945 -4.490 1.00 0.00 C ATOM 605 O ARG A 42 -7.906 2.005 -5.084 1.00 0.00 O ATOM 606 CB ARG A 42 -8.602 4.633 -6.330 1.00 0.00 C ATOM 607 CG ARG A 42 -8.760 6.104 -6.674 1.00 0.00 C ATOM 608 CD ARG A 42 -8.074 6.449 -7.986 1.00 0.00 C ATOM 609 NE ARG A 42 -8.137 7.881 -8.276 1.00 0.00 N ATOM 610 CZ ARG A 42 -7.354 8.502 -9.158 1.00 0.00 C ATOM 611 NH1 ARG A 42 -6.444 7.820 -9.852 1.00 0.00 N ATOM 612 NH2 ARG A 42 -7.482 9.809 -9.350 1.00 0.00 N ATOM 0 H ARG A 42 -6.112 3.909 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.693 5.053 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.882 4.184 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.554 4.127 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.820 6.351 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.341 6.713 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.032 6.133 -7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.543 5.893 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.824 8.440 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.343 6.815 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.849 8.303 -10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.178 10.336 -8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.884 10.286 -10.024 1.00 0.00 H new ATOM 626 N ALA A 43 -9.283 2.792 -3.474 1.00 0.00 N ATOM 627 CA ALA A 43 -9.671 1.476 -2.961 1.00 0.00 C ATOM 628 C ALA A 43 -9.913 0.481 -4.091 1.00 0.00 C ATOM 629 O ALA A 43 -10.681 0.749 -5.017 1.00 0.00 O ATOM 630 CB ALA A 43 -10.916 1.592 -2.095 1.00 0.00 C ATOM 0 H ALA A 43 -9.718 3.573 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.845 1.102 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.192 0.606 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.714 2.256 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.735 1.998 -2.688 1.00 0.00 H new ATOM 636 N GLY A 44 -9.240 -0.661 -4.009 1.00 0.00 N ATOM 637 CA GLY A 44 -9.371 -1.684 -5.031 1.00 0.00 C ATOM 638 C GLY A 44 -8.028 -2.085 -5.615 1.00 0.00 C ATOM 639 O GLY A 44 -7.864 -3.208 -6.094 1.00 0.00 O ATOM 0 H GLY A 44 -8.603 -0.898 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.857 -2.562 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.018 -1.318 -5.829 1.00 0.00 H new ATOM 643 N ASP A 45 -7.062 -1.163 -5.567 1.00 0.00 N ATOM 644 CA ASP A 45 -5.722 -1.422 -6.086 1.00 0.00 C ATOM 645 C ASP A 45 -5.063 -2.568 -5.322 1.00 0.00 C ATOM 646 O ASP A 45 -4.785 -2.449 -4.127 1.00 0.00 O ATOM 647 CB ASP A 45 -4.855 -0.163 -5.981 1.00 0.00 C ATOM 648 CG ASP A 45 -4.896 0.682 -7.241 1.00 0.00 C ATOM 649 OD1 ASP A 45 -4.186 0.339 -8.210 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.636 1.688 -7.256 1.00 0.00 O ATOM 0 H ASP A 45 -7.186 -0.230 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.812 -1.704 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.192 0.436 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.824 -0.452 -5.776 1.00 0.00 H new ATOM 655 N GLN A 46 -4.821 -3.680 -6.015 1.00 0.00 N ATOM 656 CA GLN A 46 -4.199 -4.842 -5.395 1.00 0.00 C ATOM 657 C GLN A 46 -2.716 -4.588 -5.151 1.00 0.00 C ATOM 658 O GLN A 46 -1.987 -4.180 -6.057 1.00 0.00 O ATOM 659 CB GLN A 46 -4.384 -6.087 -6.268 1.00 0.00 C ATOM 660 CG GLN A 46 -5.617 -6.901 -5.911 1.00 0.00 C ATOM 661 CD GLN A 46 -6.085 -7.780 -7.056 1.00 0.00 C ATOM 662 OE1 GLN A 46 -6.355 -7.296 -8.154 1.00 0.00 O ATOM 663 NE2 GLN A 46 -6.184 -9.082 -6.804 1.00 0.00 N ATOM 0 H GLN A 46 -5.047 -3.798 -7.003 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.687 -5.016 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.450 -5.782 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.501 -6.720 -6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.398 -7.525 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.423 -6.226 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.950 -9.442 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.494 -9.721 -7.536 1.00 0.00 H new ATOM 672 N ILE A 47 -2.281 -4.827 -3.920 1.00 0.00 N ATOM 673 CA ILE A 47 -0.886 -4.626 -3.541 1.00 0.00 C ATOM 674 C ILE A 47 -0.027 -5.812 -3.968 1.00 0.00 C ATOM 675 O ILE A 47 -0.265 -6.946 -3.547 1.00 0.00 O ATOM 676 CB ILE A 47 -0.733 -4.415 -2.020 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.723 -3.357 -1.516 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.696 -4.016 -1.683 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.944 -3.400 -0.020 1.00 0.00 C ATOM 0 H ILE A 47 -2.877 -5.162 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.547 -3.727 -4.056 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.958 -5.356 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.358 -2.368 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.679 -3.496 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.789 -3.871 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.379 -4.803 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.946 -3.088 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.655 -2.625 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.339 -4.376 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.997 -3.230 0.493 1.00 0.00 H new ATOM 691 N LEU A 48 0.968 -5.542 -4.808 1.00 0.00 N ATOM 692 CA LEU A 48 1.863 -6.587 -5.297 1.00 0.00 C ATOM 693 C LEU A 48 3.196 -6.562 -4.550 1.00 0.00 C ATOM 694 O LEU A 48 3.689 -7.602 -4.118 1.00 0.00 O ATOM 695 CB LEU A 48 2.094 -6.427 -6.803 1.00 0.00 C ATOM 696 CG LEU A 48 0.944 -6.914 -7.693 1.00 0.00 C ATOM 697 CD1 LEU A 48 -0.342 -6.165 -7.371 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.298 -6.751 -9.164 1.00 0.00 C ATOM 0 H LEU A 48 1.175 -4.609 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 48 1.390 -7.552 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.277 -5.374 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.999 -6.970 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 48 0.785 -7.973 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.144 -6.527 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.609 -6.333 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.194 -5.098 -7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.469 -7.102 -9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.488 -5.699 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.190 -7.335 -9.390 1.00 0.00 H new ATOM 710 N ALA A 49 3.770 -5.370 -4.403 1.00 0.00 N ATOM 711 CA ALA A 49 5.047 -5.205 -3.708 1.00 0.00 C ATOM 712 C ALA A 49 4.947 -4.147 -2.608 1.00 0.00 C ATOM 713 O ALA A 49 4.326 -3.100 -2.796 1.00 0.00 O ATOM 714 CB ALA A 49 6.141 -4.831 -4.697 1.00 0.00 C ATOM 0 H ALA A 49 3.370 -4.501 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 49 5.300 -6.156 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.086 -4.711 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.241 -5.619 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.881 -3.895 -5.190 1.00 0.00 H new ATOM 720 N VAL A 50 5.575 -4.424 -1.465 1.00 0.00 N ATOM 721 CA VAL A 50 5.575 -3.498 -0.334 1.00 0.00 C ATOM 722 C VAL A 50 6.988 -3.335 0.205 1.00 0.00 C ATOM 723 O VAL A 50 7.559 -4.279 0.754 1.00 0.00 O ATOM 724 CB VAL A 50 4.659 -3.971 0.817 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.437 -2.848 1.822 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.331 -4.481 0.277 1.00 0.00 C ATOM 0 H VAL A 50 6.093 -5.287 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 50 5.191 -2.548 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 50 5.155 -4.796 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.790 -3.201 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.395 -2.538 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.967 -2.001 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.703 -4.808 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.828 -3.681 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.510 -5.319 -0.396 1.00 0.00 H new ATOM 736 N ASN A 51 7.556 -2.144 0.025 1.00 0.00 N ATOM 737 CA ASN A 51 8.916 -1.862 0.474 1.00 0.00 C ATOM 738 C ASN A 51 9.921 -2.482 -0.498 1.00 0.00 C ATOM 739 O ASN A 51 11.023 -2.864 -0.110 1.00 0.00 O ATOM 740 CB ASN A 51 9.143 -2.395 1.899 1.00 0.00 C ATOM 741 CG ASN A 51 9.828 -1.384 2.802 1.00 0.00 C ATOM 742 OD1 ASN A 51 9.441 -1.211 3.958 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.852 -0.713 2.286 1.00 0.00 N ATOM 0 H ASN A 51 7.093 -1.357 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 51 9.061 -0.782 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.184 -2.674 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.747 -3.301 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.348 -0.025 2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.142 -0.886 1.323 1.00 0.00 H new ATOM 750 N GLU A 52 9.508 -2.572 -1.770 1.00 0.00 N ATOM 751 CA GLU A 52 10.326 -3.134 -2.848 1.00 0.00 C ATOM 752 C GLU A 52 10.258 -4.670 -2.896 1.00 0.00 C ATOM 753 O GLU A 52 10.851 -5.289 -3.784 1.00 0.00 O ATOM 754 CB GLU A 52 11.786 -2.640 -2.754 1.00 0.00 C ATOM 755 CG GLU A 52 12.776 -3.638 -2.154 1.00 0.00 C ATOM 756 CD GLU A 52 14.162 -3.509 -2.758 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.326 -3.846 -3.950 1.00 0.00 O ATOM 758 OE2 GLU A 52 15.084 -3.068 -2.040 1.00 0.00 O ATOM 0 H GLU A 52 8.590 -2.254 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 52 9.905 -2.772 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.127 -2.372 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.806 -1.729 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.836 -3.484 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.407 -4.651 -2.311 1.00 0.00 H new ATOM 765 N ILE A 53 9.535 -5.287 -1.956 1.00 0.00 N ATOM 766 CA ILE A 53 9.410 -6.744 -1.924 1.00 0.00 C ATOM 767 C ILE A 53 7.973 -7.189 -2.198 1.00 0.00 C ATOM 768 O ILE A 53 7.026 -6.661 -1.615 1.00 0.00 O ATOM 769 CB ILE A 53 9.881 -7.330 -0.575 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.182 -6.635 0.597 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.392 -7.197 -0.448 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.308 -7.384 1.906 1.00 0.00 C ATOM 0 H ILE A 53 9.031 -4.803 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 53 10.056 -7.127 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 53 9.616 -8.387 -0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.600 -5.636 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.126 -6.512 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.715 -7.613 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.875 -7.738 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.670 -6.144 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.790 -6.834 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.864 -8.374 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.361 -7.484 2.168 1.00 0.00 H new ATOM 784 N ASN A 54 7.825 -8.162 -3.096 1.00 0.00 N ATOM 785 CA ASN A 54 6.521 -8.691 -3.469 1.00 0.00 C ATOM 786 C ASN A 54 5.822 -9.354 -2.287 1.00 0.00 C ATOM 787 O ASN A 54 6.465 -9.794 -1.332 1.00 0.00 O ATOM 788 CB ASN A 54 6.662 -9.693 -4.616 1.00 0.00 C ATOM 789 CG ASN A 54 5.777 -9.351 -5.798 1.00 0.00 C ATOM 790 OD1 ASN A 54 6.180 -8.613 -6.697 1.00 0.00 O ATOM 791 ND2 ASN A 54 4.560 -9.883 -5.802 1.00 0.00 N ATOM 0 H ASN A 54 8.606 -8.603 -3.582 1.00 0.00 H new ATOM 0 HA ASN A 54 5.908 -7.850 -3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.702 -9.723 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.412 -10.691 -4.255 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.919 -9.685 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.266 -10.490 -5.037 1.00 0.00 H new ATOM 798 N VAL A 55 4.499 -9.416 -2.372 1.00 0.00 N ATOM 799 CA VAL A 55 3.679 -10.016 -1.322 1.00 0.00 C ATOM 800 C VAL A 55 2.403 -10.644 -1.892 1.00 0.00 C ATOM 801 O VAL A 55 1.294 -10.319 -1.461 1.00 0.00 O ATOM 802 CB VAL A 55 3.298 -8.971 -0.249 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.454 -8.740 0.713 1.00 0.00 C ATOM 804 CG2 VAL A 55 2.861 -7.662 -0.896 1.00 0.00 C ATOM 0 H VAL A 55 3.966 -9.055 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 55 4.280 -10.801 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 55 2.455 -9.363 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.164 -8.001 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.707 -9.677 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.320 -8.376 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.598 -6.943 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.677 -7.264 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.995 -7.842 -1.533 1.00 0.00 H new ATOM 814 N LYS A 56 2.563 -11.552 -2.858 1.00 0.00 N ATOM 815 CA LYS A 56 1.417 -12.225 -3.472 1.00 0.00 C ATOM 816 C LYS A 56 0.599 -12.972 -2.422 1.00 0.00 C ATOM 817 O LYS A 56 -0.631 -12.912 -2.423 1.00 0.00 O ATOM 818 CB LYS A 56 1.875 -13.194 -4.569 1.00 0.00 C ATOM 819 CG LYS A 56 2.210 -12.514 -5.891 1.00 0.00 C ATOM 820 CD LYS A 56 2.352 -13.523 -7.021 1.00 0.00 C ATOM 821 CE LYS A 56 1.052 -13.683 -7.797 1.00 0.00 C ATOM 822 NZ LYS A 56 1.277 -13.665 -9.269 1.00 0.00 N ATOM 0 H LYS A 56 3.469 -11.836 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 56 0.786 -11.460 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.753 -13.737 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.091 -13.932 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.428 -11.796 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.138 -11.951 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.143 -13.202 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.653 -14.488 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.574 -14.621 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.366 -12.881 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.367 -13.777 -9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.710 -12.760 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.911 -14.446 -9.533 1.00 0.00 H new ATOM 836 N LYS A 57 1.293 -13.663 -1.518 1.00 0.00 N ATOM 837 CA LYS A 57 0.638 -14.411 -0.449 1.00 0.00 C ATOM 838 C LYS A 57 1.430 -14.303 0.860 1.00 0.00 C ATOM 839 O LYS A 57 1.543 -15.275 1.612 1.00 0.00 O ATOM 840 CB LYS A 57 0.476 -15.883 -0.845 1.00 0.00 C ATOM 841 CG LYS A 57 -0.435 -16.106 -2.046 1.00 0.00 C ATOM 842 CD LYS A 57 -1.272 -17.365 -1.883 1.00 0.00 C ATOM 843 CE LYS A 57 -2.742 -17.035 -1.664 1.00 0.00 C ATOM 844 NZ LYS A 57 -3.556 -17.251 -2.895 1.00 0.00 N ATOM 0 H LYS A 57 2.311 -13.719 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.349 -13.977 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.459 -16.299 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.079 -16.436 0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.091 -15.245 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.167 -16.182 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.167 -17.990 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.899 -17.944 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.135 -17.653 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.836 -15.997 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.550 -17.014 -2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.198 -16.643 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.488 -18.247 -3.186 1.00 0.00 H new ATOM 858 N ALA A 58 1.980 -13.114 1.123 1.00 0.00 N ATOM 859 CA ALA A 58 2.763 -12.875 2.329 1.00 0.00 C ATOM 860 C ALA A 58 1.875 -12.806 3.572 1.00 0.00 C ATOM 861 O ALA A 58 0.658 -12.977 3.488 1.00 0.00 O ATOM 862 CB ALA A 58 3.574 -11.593 2.183 1.00 0.00 C ATOM 0 H ALA A 58 1.894 -12.302 0.512 1.00 0.00 H new ATOM 0 HA ALA A 58 3.445 -13.716 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.155 -11.425 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.249 -11.684 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.899 -10.752 2.023 1.00 0.00 H new ATOM 868 N SER A 59 2.497 -12.552 4.722 1.00 0.00 N ATOM 869 CA SER A 59 1.770 -12.459 5.986 1.00 0.00 C ATOM 870 C SER A 59 1.386 -11.021 6.291 1.00 0.00 C ATOM 871 O SER A 59 2.171 -10.092 6.096 1.00 0.00 O ATOM 872 CB SER A 59 2.601 -13.042 7.137 1.00 0.00 C ATOM 873 OG SER A 59 3.961 -13.215 6.761 1.00 0.00 O ATOM 0 H SER A 59 3.503 -12.407 4.804 1.00 0.00 H new ATOM 0 HA SER A 59 0.856 -13.044 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.543 -12.380 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.181 -14.001 7.441 1.00 0.00 H new ATOM 0 HG SER A 59 4.464 -13.586 7.516 1.00 0.00 H new ATOM 879 N HIS A 60 0.160 -10.859 6.768 1.00 0.00 N ATOM 880 CA HIS A 60 -0.389 -9.555 7.111 1.00 0.00 C ATOM 881 C HIS A 60 0.527 -8.782 8.058 1.00 0.00 C ATOM 882 O HIS A 60 0.755 -7.588 7.870 1.00 0.00 O ATOM 883 CB HIS A 60 -1.756 -9.756 7.751 1.00 0.00 C ATOM 884 CG HIS A 60 -2.728 -8.651 7.486 1.00 0.00 C ATOM 885 ND1 HIS A 60 -2.536 -7.322 7.308 1.00 0.00 N flip ATOM 886 CD2 HIS A 60 -4.088 -8.855 7.395 1.00 0.00 C flip ATOM 887 CE1 HIS A 60 -3.772 -6.755 7.116 1.00 0.00 C flip ATOM 888 NE2 HIS A 60 -4.690 -7.702 7.173 1.00 0.00 N flip ATOM 0 H HIS A 60 -0.485 -11.633 6.929 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.479 -8.964 6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.180 -10.692 7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.628 -9.861 8.828 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.641 -6.834 7.315 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.584 -9.810 7.491 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.962 -5.706 6.946 1.00 0.00 H new ATOM 897 N GLU A 61 1.049 -9.470 9.069 1.00 0.00 N ATOM 898 CA GLU A 61 1.943 -8.844 10.044 1.00 0.00 C ATOM 899 C GLU A 61 3.249 -8.407 9.387 1.00 0.00 C ATOM 900 O GLU A 61 3.776 -7.337 9.692 1.00 0.00 O ATOM 901 CB GLU A 61 2.230 -9.799 11.205 1.00 0.00 C ATOM 902 CG GLU A 61 0.971 -10.349 11.863 1.00 0.00 C ATOM 903 CD GLU A 61 1.249 -11.113 13.147 1.00 0.00 C ATOM 904 OE1 GLU A 61 2.315 -11.758 13.243 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.393 -11.070 14.056 1.00 0.00 O ATOM 0 H GLU A 61 0.870 -10.460 9.236 1.00 0.00 H new ATOM 0 HA GLU A 61 1.442 -7.958 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.833 -10.631 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.825 -9.278 11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.292 -9.524 12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.460 -11.007 11.160 1.00 0.00 H new ATOM 912 N ASP A 62 3.757 -9.234 8.476 1.00 0.00 N ATOM 913 CA ASP A 62 4.994 -8.924 7.767 1.00 0.00 C ATOM 914 C ASP A 62 4.801 -7.726 6.845 1.00 0.00 C ATOM 915 O ASP A 62 5.681 -6.873 6.730 1.00 0.00 O ATOM 916 CB ASP A 62 5.480 -10.133 6.956 1.00 0.00 C ATOM 917 CG ASP A 62 6.503 -10.973 7.700 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.210 -10.428 8.574 1.00 0.00 O ATOM 919 OD2 ASP A 62 6.598 -12.181 7.405 1.00 0.00 O ATOM 0 H ASP A 62 3.331 -10.123 8.212 1.00 0.00 H new ATOM 0 HA ASP A 62 5.751 -8.678 8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.625 -10.757 6.697 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.916 -9.784 6.020 1.00 0.00 H new ATOM 924 N VAL A 63 3.641 -7.662 6.195 1.00 0.00 N ATOM 925 CA VAL A 63 3.342 -6.559 5.292 1.00 0.00 C ATOM 926 C VAL A 63 3.197 -5.252 6.065 1.00 0.00 C ATOM 927 O VAL A 63 3.715 -4.216 5.648 1.00 0.00 O ATOM 928 CB VAL A 63 2.060 -6.820 4.471 1.00 0.00 C ATOM 929 CG1 VAL A 63 1.824 -5.689 3.480 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.149 -8.161 3.751 1.00 0.00 C ATOM 0 H VAL A 63 2.899 -8.357 6.277 1.00 0.00 H new ATOM 0 HA VAL A 63 4.180 -6.478 4.599 1.00 0.00 H new ATOM 0 HB VAL A 63 1.212 -6.858 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.917 -5.888 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.713 -4.749 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.672 -5.619 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.237 -8.328 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.005 -8.156 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.268 -8.960 4.483 1.00 0.00 H new ATOM 940 N VAL A 64 2.516 -5.315 7.208 1.00 0.00 N ATOM 941 CA VAL A 64 2.333 -4.145 8.054 1.00 0.00 C ATOM 942 C VAL A 64 3.677 -3.699 8.607 1.00 0.00 C ATOM 943 O VAL A 64 3.955 -2.503 8.705 1.00 0.00 O ATOM 944 CB VAL A 64 1.363 -4.416 9.225 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.116 -3.143 10.025 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.049 -4.993 8.719 1.00 0.00 C ATOM 0 H VAL A 64 2.083 -6.166 7.567 1.00 0.00 H new ATOM 0 HA VAL A 64 1.896 -3.361 7.436 1.00 0.00 H new ATOM 0 HB VAL A 64 1.826 -5.151 9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.430 -3.356 10.845 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.061 -2.777 10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.680 -2.384 9.375 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.617 -5.175 9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.419 -4.286 8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.240 -5.931 8.198 1.00 0.00 H new ATOM 956 N LYS A 65 4.508 -4.679 8.964 1.00 0.00 N ATOM 957 CA LYS A 65 5.827 -4.402 9.509 1.00 0.00 C ATOM 958 C LYS A 65 6.657 -3.564 8.539 1.00 0.00 C ATOM 959 O LYS A 65 7.389 -2.664 8.954 1.00 0.00 O ATOM 960 CB LYS A 65 6.561 -5.706 9.837 1.00 0.00 C ATOM 961 CG LYS A 65 6.390 -6.157 11.280 1.00 0.00 C ATOM 962 CD LYS A 65 7.015 -7.523 11.517 1.00 0.00 C ATOM 963 CE LYS A 65 8.520 -7.424 11.737 1.00 0.00 C ATOM 964 NZ LYS A 65 8.858 -6.822 13.059 1.00 0.00 N ATOM 0 H LYS A 65 4.286 -5.671 8.883 1.00 0.00 H new ATOM 0 HA LYS A 65 5.694 -3.832 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.200 -6.493 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.623 -5.577 9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.847 -5.426 11.947 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.329 -6.194 11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.550 -7.990 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.814 -8.168 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.962 -8.418 11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.963 -6.824 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.854 -7.017 13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.706 -5.794 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.249 -7.235 13.794 1.00 0.00 H new ATOM 978 N LEU A 66 6.533 -3.860 7.246 1.00 0.00 N ATOM 979 CA LEU A 66 7.267 -3.125 6.218 1.00 0.00 C ATOM 980 C LEU A 66 6.755 -1.692 6.111 1.00 0.00 C ATOM 981 O LEU A 66 7.541 -0.752 5.995 1.00 0.00 O ATOM 982 CB LEU A 66 7.146 -3.822 4.862 1.00 0.00 C ATOM 983 CG LEU A 66 7.642 -5.269 4.828 1.00 0.00 C ATOM 984 CD1 LEU A 66 6.976 -6.035 3.695 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.158 -5.306 4.687 1.00 0.00 C ATOM 0 H LEU A 66 5.933 -4.602 6.886 1.00 0.00 H new ATOM 0 HA LEU A 66 8.317 -3.103 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.100 -3.806 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.704 -3.246 4.124 1.00 0.00 H new ATOM 0 HG LEU A 66 7.373 -5.751 5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.341 -7.062 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.896 -6.035 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.213 -5.558 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.496 -6.342 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.450 -4.809 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.615 -4.794 5.534 1.00 0.00 H new ATOM 997 N ILE A 67 5.434 -1.534 6.155 1.00 0.00 N ATOM 998 CA ILE A 67 4.818 -0.211 6.067 1.00 0.00 C ATOM 999 C ILE A 67 5.141 0.623 7.304 1.00 0.00 C ATOM 1000 O ILE A 67 5.369 1.829 7.204 1.00 0.00 O ATOM 1001 CB ILE A 67 3.287 -0.300 5.892 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.934 -1.257 4.748 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.697 1.081 5.637 1.00 0.00 C ATOM 1004 CD1 ILE A 67 1.654 -2.029 4.976 1.00 0.00 C ATOM 0 H ILE A 67 4.771 -2.303 6.251 1.00 0.00 H new ATOM 0 HA ILE A 67 5.236 0.274 5.185 1.00 0.00 H new ATOM 0 HB ILE A 67 2.856 -0.691 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.844 -0.687 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.754 -1.962 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.617 0.999 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.919 1.733 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.133 1.501 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.469 -2.685 4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.746 -2.627 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.823 -1.332 5.084 1.00 0.00 H new ATOM 1016 N GLY A 68 5.186 -0.032 8.464 1.00 0.00 N ATOM 1017 CA GLY A 68 5.515 0.663 9.697 1.00 0.00 C ATOM 1018 C GLY A 68 7.018 0.842 9.878 1.00 0.00 C ATOM 1019 O GLY A 68 7.478 1.238 10.951 1.00 0.00 O ATOM 0 H GLY A 68 5.001 -1.029 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.032 1.640 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.113 0.106 10.543 1.00 0.00 H new ATOM 1023 N LYS A 69 7.784 0.553 8.819 1.00 0.00 N ATOM 1024 CA LYS A 69 9.237 0.681 8.841 1.00 0.00 C ATOM 1025 C LYS A 69 9.712 1.782 7.882 1.00 0.00 C ATOM 1026 O LYS A 69 10.900 2.107 7.844 1.00 0.00 O ATOM 1027 CB LYS A 69 9.871 -0.659 8.460 1.00 0.00 C ATOM 1028 CG LYS A 69 11.386 -0.688 8.593 1.00 0.00 C ATOM 1029 CD LYS A 69 11.870 -2.001 9.189 1.00 0.00 C ATOM 1030 CE LYS A 69 12.109 -3.048 8.112 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.153 -4.031 8.515 1.00 0.00 N ATOM 0 H LYS A 69 7.411 0.225 7.928 1.00 0.00 H new ATOM 0 HA LYS A 69 9.546 0.960 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.447 -1.442 9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.603 -0.896 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.841 -0.543 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.713 0.140 9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.793 -1.832 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.133 -2.372 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.177 -3.573 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.411 -2.556 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.286 -4.727 7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.049 -3.533 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.853 -4.519 9.383 1.00 0.00 H new ATOM 1045 N CYS A 70 8.777 2.351 7.109 1.00 0.00 N ATOM 1046 CA CYS A 70 9.088 3.407 6.152 1.00 0.00 C ATOM 1047 C CYS A 70 9.954 4.501 6.777 1.00 0.00 C ATOM 1048 O CYS A 70 10.967 4.906 6.205 1.00 0.00 O ATOM 1049 CB CYS A 70 7.790 4.007 5.611 1.00 0.00 C ATOM 1050 SG CYS A 70 6.633 4.564 6.885 1.00 0.00 S ATOM 0 H CYS A 70 7.791 2.090 7.133 1.00 0.00 H new ATOM 0 HA CYS A 70 9.658 2.965 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.036 4.851 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.293 3.264 4.987 1.00 0.00 H new ATOM 0 HG CYS A 70 5.877 3.571 7.249 1.00 0.00 H new ATOM 1056 N SER A 71 9.541 4.972 7.947 1.00 0.00 N ATOM 1057 CA SER A 71 10.260 6.021 8.665 1.00 0.00 C ATOM 1058 C SER A 71 10.225 7.339 7.892 1.00 0.00 C ATOM 1059 O SER A 71 11.176 8.124 7.938 1.00 0.00 O ATOM 1060 CB SER A 71 11.712 5.597 8.925 1.00 0.00 C ATOM 1061 OG SER A 71 12.315 6.420 9.908 1.00 0.00 O ATOM 0 H SER A 71 8.703 4.641 8.424 1.00 0.00 H new ATOM 0 HA SER A 71 9.762 6.174 9.622 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.738 4.557 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.283 5.655 7.998 1.00 0.00 H new ATOM 0 HG SER A 71 12.220 7.361 9.650 1.00 0.00 H new ATOM 1067 N GLY A 72 9.121 7.580 7.182 1.00 0.00 N ATOM 1068 CA GLY A 72 8.985 8.805 6.414 1.00 0.00 C ATOM 1069 C GLY A 72 8.239 8.613 5.105 1.00 0.00 C ATOM 1070 O GLY A 72 7.528 9.516 4.658 1.00 0.00 O ATOM 0 H GLY A 72 8.322 6.949 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.462 9.548 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.977 9.206 6.204 1.00 0.00 H new ATOM 1074 N VAL A 73 8.399 7.441 4.486 1.00 0.00 N ATOM 1075 CA VAL A 73 7.734 7.155 3.218 1.00 0.00 C ATOM 1076 C VAL A 73 7.921 5.701 2.796 1.00 0.00 C ATOM 1077 O VAL A 73 9.012 5.141 2.915 1.00 0.00 O ATOM 1078 CB VAL A 73 8.243 8.084 2.097 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.744 7.924 1.891 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.491 7.836 0.797 1.00 0.00 C ATOM 0 H VAL A 73 8.980 6.681 4.841 1.00 0.00 H new ATOM 0 HA VAL A 73 6.671 7.336 3.376 1.00 0.00 H new ATOM 0 HB VAL A 73 8.053 9.112 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.075 8.591 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.267 8.174 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.966 6.893 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.870 8.504 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.635 6.802 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.428 8.024 0.950 1.00 0.00 H new ATOM 1090 N LEU A 74 6.843 5.103 2.298 1.00 0.00 N ATOM 1091 CA LEU A 74 6.869 3.718 1.848 1.00 0.00 C ATOM 1092 C LEU A 74 6.641 3.622 0.341 1.00 0.00 C ATOM 1093 O LEU A 74 5.905 4.424 -0.239 1.00 0.00 O ATOM 1094 CB LEU A 74 5.809 2.898 2.584 1.00 0.00 C ATOM 1095 CG LEU A 74 5.892 1.389 2.355 1.00 0.00 C ATOM 1096 CD1 LEU A 74 6.885 0.754 3.316 1.00 0.00 C ATOM 1097 CD2 LEU A 74 4.518 0.754 2.498 1.00 0.00 C ATOM 0 H LEU A 74 5.937 5.560 2.196 1.00 0.00 H new ATOM 0 HA LEU A 74 7.856 3.314 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.895 3.094 3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.823 3.244 2.275 1.00 0.00 H new ATOM 0 HG LEU A 74 6.246 1.213 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.929 -0.320 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.872 1.189 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.567 0.938 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.595 -0.321 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.134 0.940 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.839 1.187 1.764 1.00 0.00 H new ATOM 1109 N HIS A 75 7.269 2.627 -0.283 1.00 0.00 N ATOM 1110 CA HIS A 75 7.134 2.408 -1.718 1.00 0.00 C ATOM 1111 C HIS A 75 6.309 1.152 -1.990 1.00 0.00 C ATOM 1112 O HIS A 75 6.823 0.033 -1.921 1.00 0.00 O ATOM 1113 CB HIS A 75 8.514 2.288 -2.374 1.00 0.00 C ATOM 1114 CG HIS A 75 9.270 3.582 -2.422 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.313 3.879 -1.570 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.128 4.660 -3.229 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.779 5.085 -1.850 1.00 0.00 C ATOM 1118 NE2 HIS A 75 10.076 5.578 -2.852 1.00 0.00 N ATOM 0 H HIS A 75 7.879 1.958 0.187 1.00 0.00 H new ATOM 0 HA HIS A 75 6.617 3.265 -2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.104 1.552 -1.828 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.393 1.910 -3.389 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.670 3.265 -0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.404 4.776 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.595 5.581 -1.345 1.00 0.00 H new ATOM 1127 N MET A 76 5.024 1.346 -2.290 1.00 0.00 N ATOM 1128 CA MET A 76 4.122 0.231 -2.564 1.00 0.00 C ATOM 1129 C MET A 76 3.822 0.126 -4.055 1.00 0.00 C ATOM 1130 O MET A 76 3.544 1.128 -4.716 1.00 0.00 O ATOM 1131 CB MET A 76 2.810 0.389 -1.788 1.00 0.00 C ATOM 1132 CG MET A 76 2.994 0.775 -0.327 1.00 0.00 C ATOM 1133 SD MET A 76 2.256 2.373 0.067 1.00 0.00 S ATOM 1134 CE MET A 76 0.802 1.857 0.977 1.00 0.00 C ATOM 0 H MET A 76 4.586 2.265 -2.349 1.00 0.00 H new ATOM 0 HA MET A 76 4.620 -0.682 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.199 1.147 -2.279 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.256 -0.548 -1.838 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.549 0.008 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.058 0.803 -0.094 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.238 2.736 1.291 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.176 1.233 0.339 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.106 1.288 1.856 1.00 0.00 H new ATOM 1144 N VAL A 77 3.875 -1.096 -4.577 1.00 0.00 N ATOM 1145 CA VAL A 77 3.606 -1.344 -5.986 1.00 0.00 C ATOM 1146 C VAL A 77 2.269 -2.062 -6.164 1.00 0.00 C ATOM 1147 O VAL A 77 2.178 -3.279 -5.989 1.00 0.00 O ATOM 1148 CB VAL A 77 4.730 -2.183 -6.632 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.536 -2.276 -8.137 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.097 -1.598 -6.299 1.00 0.00 C ATOM 0 H VAL A 77 4.103 -1.933 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 77 3.563 -0.375 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 77 4.682 -3.191 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.339 -2.871 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.577 -2.748 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.552 -1.275 -8.568 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.875 -2.204 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.158 -0.577 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.237 -1.594 -5.218 1.00 0.00 H new ATOM 1160 N ILE A 78 1.234 -1.297 -6.505 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.105 -1.851 -6.703 1.00 0.00 C ATOM 1162 C ILE A 78 -0.518 -1.797 -8.174 1.00 0.00 C ATOM 1163 O ILE A 78 0.098 -1.095 -8.978 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.168 -1.111 -5.856 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.221 0.381 -6.222 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.896 -1.297 -4.369 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -0.205 1.240 -5.496 1.00 0.00 C ATOM 0 H ILE A 78 1.297 -0.289 -6.650 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.057 -2.890 -6.378 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.142 -1.545 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.066 0.485 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.220 0.760 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.655 -0.769 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.927 -2.359 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.088 -0.897 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.312 2.277 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.372 1.170 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.801 0.891 -5.731 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.567 -2.545 -8.515 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.071 -2.587 -9.884 1.00 0.00 C ATOM 1181 C ALA A 79 -3.574 -2.317 -9.929 1.00 0.00 C ATOM 1182 O ALA A 79 -4.343 -2.923 -9.180 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.756 -3.935 -10.516 1.00 0.00 C ATOM 0 H ALA A 79 -2.084 -3.131 -7.859 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.573 -1.802 -10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.136 -3.956 -11.537 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.677 -4.088 -10.527 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.229 -4.728 -9.937 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.982 -1.406 -10.812 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.393 -1.054 -10.957 1.00 0.00 C ATOM 1191 C GLU A 80 -6.115 -2.055 -11.859 1.00 0.00 C ATOM 1192 O GLU A 80 -5.737 -2.245 -13.018 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.540 0.360 -11.528 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.764 1.099 -11.012 1.00 0.00 C ATOM 1195 CD GLU A 80 -6.551 2.598 -10.922 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -5.666 3.029 -10.154 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -7.274 3.344 -11.619 1.00 0.00 O ATOM 0 H GLU A 80 -3.355 -0.899 -11.437 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.848 -1.085 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.648 0.936 -11.284 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.593 0.300 -12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.609 0.896 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.027 0.714 -10.027 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.154 -2.690 -11.318 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.916 -3.664 -12.081 1.00 0.00 C ATOM 1206 C GLY A 81 -9.038 -3.035 -12.890 1.00 0.00 C ATOM 1207 O GLY A 81 -9.206 -3.348 -14.071 1.00 0.00 O ATOM 0 H GLY A 81 -7.481 -2.546 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.244 -4.197 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.337 -4.403 -11.399 1.00 0.00 H new ATOM 1211 N VAL A 82 -9.810 -2.151 -12.255 1.00 0.00 N ATOM 1212 CA VAL A 82 -10.924 -1.485 -12.926 1.00 0.00 C ATOM 1213 C VAL A 82 -10.577 -0.039 -13.263 1.00 0.00 C ATOM 1214 O VAL A 82 -10.309 0.771 -12.372 1.00 0.00 O ATOM 1215 CB VAL A 82 -12.205 -1.510 -12.062 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -13.390 -0.950 -12.840 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -12.494 -2.922 -11.567 1.00 0.00 C ATOM 0 H VAL A 82 -9.683 -1.881 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.110 -2.036 -13.848 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.043 -0.875 -11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -14.282 -0.977 -12.214 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.181 0.080 -13.130 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.556 -1.552 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.400 -2.917 -10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.632 -3.586 -12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.657 -3.275 -10.965 1.00 0.00 H new ATOM 1227 N GLY A 83 -10.582 0.277 -14.556 1.00 0.00 N ATOM 1228 CA GLY A 83 -10.264 1.626 -14.995 1.00 0.00 C ATOM 1229 C GLY A 83 -8.776 1.825 -15.215 1.00 0.00 C ATOM 1230 O GLY A 83 -8.405 2.443 -16.234 1.00 0.00 O ATOM 1231 OXT GLY A 83 -7.981 1.364 -14.368 1.00 0.00 O ATOM 0 H GLY A 83 -10.801 -0.377 -15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.798 1.839 -15.921 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.618 2.340 -14.252 1.00 0.00 H new TER 1235 GLY A 83