USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot 180:sc= 0.182 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0183 X(o=0.16,f=0.18) USER MOD Single : A 30 SER OG : rot -97:sc= 0.32 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 44 GLN : amide:sc= -0.0624 X(o=-0.062,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -175:sc= -0.209 (180deg=-0.255) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0384 X(o=-0.038,f=-0.17) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -84:sc= 1.51 USER MOD Single : A 68 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.99) USER MOD Single : A 69 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.661 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.2) USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= 1.54 (180deg=1.53) USER MOD Single : A 91 GLN : amide:sc= -0.0765 X(o=-0.076,f=-0.24) USER MOD Single : A 95 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0248 X(o=-0.025,f=-0.17) USER MOD Single : A 101 SER OG : rot 180:sc= 0.807 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.0385 K(o=-0.039,f=-1.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.045 K(o=-0.045,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -8.840 -16.553 -7.606 1.00 0.00 N ATOM 2 CA GLY A 29 -9.766 -16.757 -8.704 1.00 0.00 C ATOM 3 C GLY A 29 -10.063 -15.475 -9.458 1.00 0.00 C ATOM 4 O GLY A 29 -11.142 -14.900 -9.316 1.00 0.00 O ATOM 0 HA2 GLY A 29 -9.351 -17.492 -9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.697 -17.172 -8.318 1.00 0.00 H new ATOM 10 N SER A 30 -9.103 -15.025 -10.259 1.00 0.00 N ATOM 11 CA SER A 30 -9.116 -13.662 -10.777 1.00 0.00 C ATOM 12 C SER A 30 -7.876 -13.391 -11.624 1.00 0.00 C ATOM 13 O SER A 30 -6.783 -13.189 -11.097 1.00 0.00 O ATOM 14 CB SER A 30 -9.205 -12.668 -9.634 1.00 0.00 C ATOM 15 OG SER A 30 -9.240 -11.344 -10.091 1.00 0.00 O ATOM 0 H SER A 30 -8.306 -15.584 -10.564 1.00 0.00 H new ATOM 0 HA SER A 30 -9.993 -13.545 -11.413 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.099 -12.872 -9.045 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.350 -12.800 -8.971 1.00 0.00 H new ATOM 0 HG SER A 30 -8.339 -10.960 -10.049 1.00 0.00 H new ATOM 21 N GLU A 31 -8.058 -13.388 -12.942 1.00 0.00 N ATOM 22 CA GLU A 31 -7.012 -12.942 -13.854 1.00 0.00 C ATOM 23 C GLU A 31 -7.590 -12.620 -15.229 1.00 0.00 C ATOM 24 O GLU A 31 -8.582 -13.216 -15.650 1.00 0.00 O ATOM 25 CB GLU A 31 -5.917 -14.004 -13.977 1.00 0.00 C ATOM 26 CG GLU A 31 -6.373 -15.306 -14.620 1.00 0.00 C ATOM 27 CD GLU A 31 -5.304 -16.360 -14.537 1.00 0.00 C ATOM 28 OE1 GLU A 31 -4.300 -16.113 -13.912 1.00 0.00 O ATOM 29 OE2 GLU A 31 -5.537 -17.452 -15.000 1.00 0.00 O ATOM 0 H GLU A 31 -8.918 -13.689 -13.400 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.573 -12.033 -13.444 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.094 -13.593 -14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.525 -14.221 -12.983 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.277 -15.662 -14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.631 -15.128 -15.664 1.00 0.00 H new ATOM 36 N GLU A 32 -6.965 -11.674 -15.923 1.00 0.00 N ATOM 37 CA GLU A 32 -7.291 -11.408 -17.319 1.00 0.00 C ATOM 38 C GLU A 32 -6.377 -12.199 -18.251 1.00 0.00 C ATOM 39 O GLU A 32 -5.632 -13.076 -17.813 1.00 0.00 O ATOM 40 CB GLU A 32 -7.186 -9.911 -17.618 1.00 0.00 C ATOM 41 CG GLU A 32 -8.169 -9.044 -16.844 1.00 0.00 C ATOM 42 CD GLU A 32 -8.006 -7.591 -17.191 1.00 0.00 C ATOM 43 OE1 GLU A 32 -6.903 -7.105 -17.128 1.00 0.00 O ATOM 44 OE2 GLU A 32 -8.962 -6.994 -17.627 1.00 0.00 O ATOM 0 H GLU A 32 -6.230 -11.079 -15.541 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.318 -11.728 -17.494 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.172 -9.578 -17.394 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.344 -9.754 -18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.188 -9.361 -17.065 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.016 -9.184 -15.774 1.00 0.00 H new ATOM 51 N LYS A 33 -6.440 -11.883 -19.540 1.00 0.00 N ATOM 52 CA LYS A 33 -5.615 -12.558 -20.535 1.00 0.00 C ATOM 53 C LYS A 33 -4.245 -11.897 -20.643 1.00 0.00 C ATOM 54 O LYS A 33 -3.230 -12.484 -20.268 1.00 0.00 O ATOM 55 CB LYS A 33 -6.310 -12.561 -21.897 1.00 0.00 C ATOM 56 CG LYS A 33 -5.543 -13.291 -22.993 1.00 0.00 C ATOM 57 CD LYS A 33 -6.302 -13.265 -24.310 1.00 0.00 C ATOM 58 CE LYS A 33 -5.532 -13.984 -25.408 1.00 0.00 C ATOM 59 NZ LYS A 33 -6.230 -13.904 -26.720 1.00 0.00 N ATOM 0 H LYS A 33 -7.054 -11.163 -19.920 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.474 -13.590 -20.213 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.292 -13.021 -21.789 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.474 -11.530 -22.210 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.565 -12.828 -23.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.369 -14.324 -22.692 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.277 -13.735 -24.179 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.483 -12.232 -24.607 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.537 -13.548 -25.499 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.397 -15.030 -25.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.673 -14.406 -27.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.169 -14.343 -26.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.336 -12.907 -26.997 1.00 0.00 H new ATOM 73 N GLU A 34 -4.223 -10.671 -21.158 1.00 0.00 N ATOM 74 CA GLU A 34 -2.967 -9.991 -21.456 1.00 0.00 C ATOM 75 C GLU A 34 -1.981 -10.140 -20.300 1.00 0.00 C ATOM 76 O GLU A 34 -0.881 -10.662 -20.474 1.00 0.00 O ATOM 77 CB GLU A 34 -3.215 -8.510 -21.751 1.00 0.00 C ATOM 78 CG GLU A 34 -1.971 -7.732 -22.154 1.00 0.00 C ATOM 79 CD GLU A 34 -2.307 -6.311 -22.512 1.00 0.00 C ATOM 80 OE1 GLU A 34 -3.461 -5.960 -22.451 1.00 0.00 O ATOM 81 OE2 GLU A 34 -1.400 -5.546 -22.738 1.00 0.00 O ATOM 0 H GLU A 34 -5.059 -10.129 -21.377 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.533 -10.456 -22.341 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.953 -8.430 -22.549 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.650 -8.044 -20.867 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.252 -7.743 -21.335 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.494 -8.220 -23.004 1.00 0.00 H new ATOM 88 N GLU A 35 -2.385 -9.675 -19.123 1.00 0.00 N ATOM 89 CA GLU A 35 -1.624 -9.923 -17.903 1.00 0.00 C ATOM 90 C GLU A 35 -2.479 -10.644 -16.866 1.00 0.00 C ATOM 91 O GLU A 35 -3.506 -10.129 -16.422 1.00 0.00 O ATOM 92 CB GLU A 35 -1.090 -8.610 -17.328 1.00 0.00 C ATOM 93 CG GLU A 35 -0.045 -7.923 -18.194 1.00 0.00 C ATOM 94 CD GLU A 35 0.501 -6.694 -17.521 1.00 0.00 C ATOM 95 OE1 GLU A 35 0.107 -6.423 -16.412 1.00 0.00 O ATOM 96 OE2 GLU A 35 1.393 -6.088 -18.067 1.00 0.00 O ATOM 0 H GLU A 35 -3.233 -9.125 -18.987 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.779 -10.563 -18.156 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.926 -7.927 -17.178 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.659 -8.806 -16.346 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.769 -8.617 -18.404 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.487 -7.650 -19.152 1.00 0.00 H new ATOM 103 N LYS A 36 -2.050 -11.843 -16.482 1.00 0.00 N ATOM 104 CA LYS A 36 -2.887 -12.742 -15.701 1.00 0.00 C ATOM 105 C LYS A 36 -2.262 -13.024 -14.339 1.00 0.00 C ATOM 106 O LYS A 36 -2.472 -14.089 -13.755 1.00 0.00 O ATOM 107 CB LYS A 36 -3.122 -14.051 -16.457 1.00 0.00 C ATOM 108 CG LYS A 36 -1.849 -14.730 -16.947 1.00 0.00 C ATOM 109 CD LYS A 36 -2.164 -15.997 -17.728 1.00 0.00 C ATOM 110 CE LYS A 36 -0.892 -16.700 -18.182 1.00 0.00 C ATOM 111 NZ LYS A 36 -1.184 -17.953 -18.928 1.00 0.00 N ATOM 0 H LYS A 36 -1.125 -12.213 -16.701 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.848 -12.253 -15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.660 -14.741 -15.807 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.766 -13.852 -17.313 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.287 -14.042 -17.578 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.213 -14.974 -16.096 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.753 -16.672 -17.107 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.774 -15.749 -18.596 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.312 -16.028 -18.815 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.275 -16.931 -17.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.291 -18.400 -19.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.715 -18.606 -18.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.751 -17.731 -19.771 1.00 0.00 H new ATOM 125 N LYS A 37 -1.493 -12.065 -13.835 1.00 0.00 N ATOM 126 CA LYS A 37 -0.775 -12.239 -12.580 1.00 0.00 C ATOM 127 C LYS A 37 -1.177 -11.167 -11.570 1.00 0.00 C ATOM 128 O LYS A 37 -1.115 -11.387 -10.361 1.00 0.00 O ATOM 129 CB LYS A 37 0.737 -12.202 -12.815 1.00 0.00 C ATOM 130 CG LYS A 37 1.250 -10.899 -13.412 1.00 0.00 C ATOM 131 CD LYS A 37 2.730 -10.988 -13.745 1.00 0.00 C ATOM 132 CE LYS A 37 3.576 -11.129 -12.487 1.00 0.00 C ATOM 133 NZ LYS A 37 5.031 -11.169 -12.795 1.00 0.00 N ATOM 0 H LYS A 37 -1.351 -11.157 -14.278 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.042 -13.214 -12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.244 -12.377 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.009 -13.023 -13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.686 -10.663 -14.314 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.082 -10.083 -12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.906 -11.841 -14.401 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.035 -10.096 -14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.370 -10.295 -11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.292 -12.040 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.570 -11.266 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.233 -11.980 -13.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.308 -10.289 -13.275 1.00 0.00 H new ATOM 147 N VAL A 38 -1.593 -10.010 -12.077 1.00 0.00 N ATOM 148 CA VAL A 38 -2.015 -8.909 -11.218 1.00 0.00 C ATOM 149 C VAL A 38 -2.991 -7.991 -11.946 1.00 0.00 C ATOM 150 O VAL A 38 -3.290 -8.192 -13.123 1.00 0.00 O ATOM 151 CB VAL A 38 -0.811 -8.082 -10.727 1.00 0.00 C ATOM 152 CG1 VAL A 38 0.080 -8.922 -9.827 1.00 0.00 C ATOM 153 CG2 VAL A 38 -0.019 -7.543 -11.908 1.00 0.00 C ATOM 0 H VAL A 38 -1.647 -9.811 -13.076 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.512 -9.352 -10.355 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.185 -7.237 -10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.925 -8.322 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.492 -9.262 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.447 -9.786 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.828 -6.961 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.345 -8.374 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.661 -6.906 -12.517 1.00 0.00 H new ATOM 163 N ARG A 39 -3.483 -6.980 -11.236 1.00 0.00 N ATOM 164 CA ARG A 39 -4.113 -5.832 -11.878 1.00 0.00 C ATOM 165 C ARG A 39 -3.143 -4.655 -11.958 1.00 0.00 C ATOM 166 O ARG A 39 -2.206 -4.556 -11.167 1.00 0.00 O ATOM 167 CB ARG A 39 -5.416 -5.438 -11.202 1.00 0.00 C ATOM 168 CG ARG A 39 -6.435 -6.560 -11.074 1.00 0.00 C ATOM 169 CD ARG A 39 -6.984 -7.039 -12.369 1.00 0.00 C ATOM 170 NE ARG A 39 -7.599 -6.002 -13.182 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.855 -5.543 -13.015 1.00 0.00 C ATOM 172 NH1 ARG A 39 -9.644 -6.049 -12.093 1.00 0.00 N ATOM 173 NH2 ARG A 39 -9.283 -4.585 -13.820 1.00 0.00 N ATOM 0 H ARG A 39 -3.457 -6.933 -10.217 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.369 -6.129 -12.895 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.191 -5.056 -10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.867 -4.620 -11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.970 -7.400 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.259 -6.217 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.180 -7.503 -12.941 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.724 -7.815 -12.171 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.041 -5.593 -13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.308 -6.801 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.592 -5.690 -11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.667 -4.214 -14.543 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.229 -4.218 -13.718 1.00 0.00 H new ATOM 187 N GLU A 40 -3.377 -3.767 -12.918 1.00 0.00 N ATOM 188 CA GLU A 40 -2.353 -2.826 -13.355 1.00 0.00 C ATOM 189 C GLU A 40 -2.078 -1.782 -12.276 1.00 0.00 C ATOM 190 O GLU A 40 -2.806 -1.687 -11.287 1.00 0.00 O ATOM 191 CB GLU A 40 -2.770 -2.143 -14.659 1.00 0.00 C ATOM 192 CG GLU A 40 -3.956 -1.198 -14.522 1.00 0.00 C ATOM 193 CD GLU A 40 -4.318 -0.582 -15.843 1.00 0.00 C ATOM 194 OE1 GLU A 40 -3.684 -0.901 -16.821 1.00 0.00 O ATOM 195 OE2 GLU A 40 -5.300 0.121 -15.900 1.00 0.00 O ATOM 0 H GLU A 40 -4.267 -3.679 -13.408 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.435 -3.386 -13.533 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.920 -1.585 -15.051 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.015 -2.909 -15.394 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.813 -1.742 -14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.717 -0.412 -13.805 1.00 0.00 H new ATOM 202 N LEU A 41 -1.022 -1.001 -12.473 1.00 0.00 N ATOM 203 CA LEU A 41 -0.620 0.004 -11.494 1.00 0.00 C ATOM 204 C LEU A 41 -0.827 1.411 -12.040 1.00 0.00 C ATOM 205 O LEU A 41 0.097 2.023 -12.578 1.00 0.00 O ATOM 206 CB LEU A 41 0.846 -0.204 -11.089 1.00 0.00 C ATOM 207 CG LEU A 41 1.071 -1.198 -9.943 1.00 0.00 C ATOM 208 CD1 LEU A 41 0.504 -2.562 -10.314 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.561 -1.297 -9.642 1.00 0.00 C ATOM 0 H LEU A 41 -0.428 -1.044 -13.301 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.248 -0.111 -10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.402 -0.547 -11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.267 0.759 -10.801 1.00 0.00 H new ATOM 0 HG LEU A 41 0.554 -0.846 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.669 -3.260 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.566 -2.472 -10.504 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.002 -2.931 -11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.722 -2.003 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.090 -1.642 -10.531 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.940 -0.317 -9.352 1.00 0.00 H new ATOM 221 N THR A 42 -2.045 1.923 -11.898 1.00 0.00 N ATOM 222 CA THR A 42 -2.377 3.255 -12.387 1.00 0.00 C ATOM 223 C THR A 42 -1.930 4.329 -11.404 1.00 0.00 C ATOM 224 O THR A 42 -1.789 4.088 -10.205 1.00 0.00 O ATOM 225 CB THR A 42 -3.888 3.404 -12.643 1.00 0.00 C ATOM 226 OG1 THR A 42 -4.597 3.306 -11.401 1.00 0.00 O ATOM 227 CG2 THR A 42 -4.378 2.318 -13.589 1.00 0.00 C ATOM 0 H THR A 42 -2.819 1.435 -11.448 1.00 0.00 H new ATOM 0 HA THR A 42 -1.845 3.385 -13.329 1.00 0.00 H new ATOM 0 HB THR A 42 -4.070 4.378 -13.098 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.558 3.402 -11.565 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.448 2.439 -13.759 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.849 2.397 -14.539 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.189 1.339 -13.148 1.00 0.00 H new ATOM 235 N PRO A 43 -1.701 5.547 -11.918 1.00 0.00 N ATOM 236 CA PRO A 43 -1.377 6.710 -11.088 1.00 0.00 C ATOM 237 C PRO A 43 -2.496 7.052 -10.109 1.00 0.00 C ATOM 238 O PRO A 43 -2.249 7.618 -9.045 1.00 0.00 O ATOM 239 CB PRO A 43 -1.146 7.834 -12.103 1.00 0.00 C ATOM 240 CG PRO A 43 -1.901 7.404 -13.313 1.00 0.00 C ATOM 241 CD PRO A 43 -1.765 5.905 -13.356 1.00 0.00 C ATOM 0 HA PRO A 43 -0.509 6.533 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.510 8.790 -11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.086 7.960 -12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.948 7.702 -13.250 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.493 7.862 -14.214 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.613 5.435 -13.854 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.868 5.594 -13.892 1.00 0.00 H new ATOM 249 N GLN A 44 -3.724 6.705 -10.476 1.00 0.00 N ATOM 250 CA GLN A 44 -4.868 6.883 -9.589 1.00 0.00 C ATOM 251 C GLN A 44 -4.820 5.887 -8.435 1.00 0.00 C ATOM 252 O GLN A 44 -5.139 6.228 -7.296 1.00 0.00 O ATOM 253 CB GLN A 44 -6.179 6.721 -10.362 1.00 0.00 C ATOM 254 CG GLN A 44 -7.425 7.007 -9.540 1.00 0.00 C ATOM 255 CD GLN A 44 -7.483 8.445 -9.061 1.00 0.00 C ATOM 256 OE1 GLN A 44 -7.206 9.379 -9.819 1.00 0.00 O ATOM 257 NE2 GLN A 44 -7.841 8.632 -7.796 1.00 0.00 N ATOM 0 H GLN A 44 -3.954 6.298 -11.383 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.821 7.892 -9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.165 7.388 -11.224 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.237 5.703 -10.748 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.310 6.790 -10.139 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.451 6.339 -8.679 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.061 7.831 -7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.896 9.577 -7.416 1.00 0.00 H new ATOM 266 N GLU A 45 -4.420 4.656 -8.738 1.00 0.00 N ATOM 267 CA GLU A 45 -4.327 3.612 -7.724 1.00 0.00 C ATOM 268 C GLU A 45 -3.195 3.906 -6.744 1.00 0.00 C ATOM 269 O GLU A 45 -3.291 3.593 -5.557 1.00 0.00 O ATOM 270 CB GLU A 45 -4.116 2.245 -8.380 1.00 0.00 C ATOM 271 CG GLU A 45 -5.368 1.650 -9.011 1.00 0.00 C ATOM 272 CD GLU A 45 -5.023 0.557 -9.983 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.862 0.387 -10.269 1.00 0.00 O ATOM 274 OE2 GLU A 45 -5.906 -0.182 -10.353 1.00 0.00 O ATOM 0 H GLU A 45 -4.155 4.357 -9.677 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.266 3.594 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.347 2.338 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.736 1.551 -7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.018 1.254 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.926 2.433 -9.524 1.00 0.00 H new ATOM 281 N LEU A 46 -2.126 4.510 -7.248 1.00 0.00 N ATOM 282 CA LEU A 46 -0.962 4.817 -6.424 1.00 0.00 C ATOM 283 C LEU A 46 -1.180 6.101 -5.632 1.00 0.00 C ATOM 284 O LEU A 46 -0.753 6.214 -4.483 1.00 0.00 O ATOM 285 CB LEU A 46 0.293 4.934 -7.300 1.00 0.00 C ATOM 286 CG LEU A 46 0.748 3.629 -7.966 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.024 3.866 -8.762 1.00 0.00 C ATOM 288 CD2 LEU A 46 0.965 2.563 -6.902 1.00 0.00 C ATOM 0 H LEU A 46 -2.040 4.797 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.820 4.002 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.106 5.674 -8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.110 5.315 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.023 3.284 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.339 2.934 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.839 4.615 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.809 4.219 -8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.288 1.636 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.730 2.898 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.032 2.390 -6.365 1.00 0.00 H new ATOM 300 N GLU A 47 -1.848 7.068 -6.254 1.00 0.00 N ATOM 301 CA GLU A 47 -2.143 8.335 -5.596 1.00 0.00 C ATOM 302 C GLU A 47 -3.103 8.132 -4.427 1.00 0.00 C ATOM 303 O GLU A 47 -2.866 8.619 -3.322 1.00 0.00 O ATOM 304 CB GLU A 47 -2.731 9.335 -6.595 1.00 0.00 C ATOM 305 CG GLU A 47 -1.703 10.002 -7.496 1.00 0.00 C ATOM 306 CD GLU A 47 -2.365 10.812 -8.575 1.00 0.00 C ATOM 307 OE1 GLU A 47 -3.570 10.796 -8.650 1.00 0.00 O ATOM 308 OE2 GLU A 47 -1.676 11.536 -9.255 1.00 0.00 O ATOM 0 H GLU A 47 -2.194 6.998 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.208 8.737 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.462 8.820 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.268 10.107 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.057 10.646 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.065 9.242 -7.948 1.00 0.00 H new ATOM 315 N LEU A 48 -4.189 7.409 -4.680 1.00 0.00 N ATOM 316 CA LEU A 48 -5.196 7.155 -3.655 1.00 0.00 C ATOM 317 C LEU A 48 -4.614 6.324 -2.516 1.00 0.00 C ATOM 318 O LEU A 48 -5.109 6.362 -1.390 1.00 0.00 O ATOM 319 CB LEU A 48 -6.401 6.435 -4.263 1.00 0.00 C ATOM 320 CG LEU A 48 -6.241 4.931 -4.486 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.434 4.175 -3.179 1.00 0.00 C ATOM 322 CD2 LEU A 48 -7.226 4.440 -5.537 1.00 0.00 C ATOM 0 H LEU A 48 -4.395 6.988 -5.586 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.520 8.115 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.261 6.596 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.633 6.902 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.230 4.742 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.317 3.106 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.691 4.506 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.433 4.371 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.098 3.367 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.244 4.642 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.043 4.959 -6.478 1.00 0.00 H new ATOM 334 N PHE A 49 -3.558 5.575 -2.815 1.00 0.00 N ATOM 335 CA PHE A 49 -2.834 4.830 -1.792 1.00 0.00 C ATOM 336 C PHE A 49 -2.104 5.777 -0.843 1.00 0.00 C ATOM 337 O PHE A 49 -2.377 5.803 0.357 1.00 0.00 O ATOM 338 CB PHE A 49 -1.844 3.859 -2.438 1.00 0.00 C ATOM 339 CG PHE A 49 -1.068 3.039 -1.447 1.00 0.00 C ATOM 340 CD1 PHE A 49 -1.611 1.883 -0.906 1.00 0.00 C ATOM 341 CD2 PHE A 49 0.206 3.420 -1.053 1.00 0.00 C ATOM 342 CE1 PHE A 49 -0.897 1.126 0.005 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.921 2.666 -0.144 1.00 0.00 C ATOM 344 CZ PHE A 49 0.369 1.518 0.386 1.00 0.00 C ATOM 0 H PHE A 49 -3.184 5.468 -3.758 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.559 4.258 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.388 3.189 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.145 4.424 -3.055 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.602 1.571 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.644 4.318 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.331 0.228 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.913 2.975 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.927 0.928 1.098 1.00 0.00 H new ATOM 354 N LYS A 50 -1.177 6.554 -1.390 1.00 0.00 N ATOM 355 CA LYS A 50 -0.391 7.487 -0.591 1.00 0.00 C ATOM 356 C LYS A 50 -1.286 8.554 0.033 1.00 0.00 C ATOM 357 O LYS A 50 -0.945 9.135 1.064 1.00 0.00 O ATOM 358 CB LYS A 50 0.697 8.141 -1.445 1.00 0.00 C ATOM 359 CG LYS A 50 0.170 9.068 -2.533 1.00 0.00 C ATOM 360 CD LYS A 50 1.309 9.728 -3.297 1.00 0.00 C ATOM 361 CE LYS A 50 0.788 10.744 -4.301 1.00 0.00 C ATOM 362 NZ LYS A 50 1.891 11.401 -5.053 1.00 0.00 N ATOM 0 H LYS A 50 -0.951 6.557 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 50 0.086 6.926 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.362 8.707 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.296 7.358 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.455 8.502 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.463 9.834 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.983 10.220 -2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.890 8.966 -3.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.116 10.249 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.203 11.502 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.492 12.086 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.519 11.895 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.434 10.682 -5.572 1.00 0.00 H new ATOM 376 N ARG A 51 -2.427 8.806 -0.598 1.00 0.00 N ATOM 377 CA ARG A 51 -3.410 9.737 -0.056 1.00 0.00 C ATOM 378 C ARG A 51 -4.094 9.151 1.174 1.00 0.00 C ATOM 379 O ARG A 51 -4.081 9.750 2.249 1.00 0.00 O ATOM 380 CB ARG A 51 -4.421 10.180 -1.103 1.00 0.00 C ATOM 381 CG ARG A 51 -5.399 11.246 -0.638 1.00 0.00 C ATOM 382 CD ARG A 51 -6.373 11.678 -1.672 1.00 0.00 C ATOM 383 NE ARG A 51 -5.777 12.339 -2.823 1.00 0.00 N ATOM 384 CZ ARG A 51 -6.418 12.580 -3.982 1.00 0.00 C ATOM 385 NH1 ARG A 51 -7.658 12.186 -4.166 1.00 0.00 N ATOM 386 NH2 ARG A 51 -5.758 13.205 -4.942 1.00 0.00 N ATOM 0 H ARG A 51 -2.694 8.379 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.872 10.633 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.881 10.557 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.986 9.308 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.947 10.867 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.836 12.116 -0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.928 10.806 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.094 12.354 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.806 12.641 -2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.151 11.689 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.128 12.377 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.790 13.490 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.217 13.402 -5.832 1.00 0.00 H new ATOM 400 N ALA A 52 -4.693 7.977 1.009 1.00 0.00 N ATOM 401 CA ALA A 52 -5.417 7.327 2.094 1.00 0.00 C ATOM 402 C ALA A 52 -4.472 6.924 3.220 1.00 0.00 C ATOM 403 O ALA A 52 -4.805 7.050 4.399 1.00 0.00 O ATOM 404 CB ALA A 52 -6.170 6.111 1.574 1.00 0.00 C ATOM 0 H ALA A 52 -4.691 7.455 0.132 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.136 8.041 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.706 5.636 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.881 6.423 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.463 5.402 1.144 1.00 0.00 H new ATOM 410 N MET A 53 -3.292 6.438 2.851 1.00 0.00 N ATOM 411 CA MET A 53 -2.362 5.868 3.820 1.00 0.00 C ATOM 412 C MET A 53 -1.666 6.967 4.618 1.00 0.00 C ATOM 413 O MET A 53 -0.940 6.690 5.570 1.00 0.00 O ATOM 414 CB MET A 53 -1.331 4.991 3.113 1.00 0.00 C ATOM 415 CG MET A 53 -1.919 3.788 2.388 1.00 0.00 C ATOM 416 SD MET A 53 -2.835 2.692 3.490 1.00 0.00 S ATOM 417 CE MET A 53 -1.492 1.880 4.352 1.00 0.00 C ATOM 0 H MET A 53 -2.956 6.427 1.888 1.00 0.00 H new ATOM 0 HA MET A 53 -2.930 5.250 4.515 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.785 5.602 2.394 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.607 4.639 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.581 4.135 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.115 3.228 1.911 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.894 1.107 5.007 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.816 1.426 3.627 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.947 2.612 4.948 1.00 0.00 H new ATOM 427 N GLY A 54 -1.894 8.215 4.219 1.00 0.00 N ATOM 428 CA GLY A 54 -1.444 9.341 5.017 1.00 0.00 C ATOM 429 C GLY A 54 0.052 9.563 4.912 1.00 0.00 C ATOM 430 O GLY A 54 0.724 9.786 5.919 1.00 0.00 O ATOM 0 H GLY A 54 -2.381 8.466 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.966 10.242 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.711 9.173 6.060 1.00 0.00 H new ATOM 434 N ILE A 55 0.575 9.498 3.692 1.00 0.00 N ATOM 435 CA ILE A 55 2.006 9.658 3.466 1.00 0.00 C ATOM 436 C ILE A 55 2.447 11.095 3.722 1.00 0.00 C ATOM 437 O ILE A 55 1.881 12.038 3.168 1.00 0.00 O ATOM 438 CB ILE A 55 2.400 9.256 2.032 1.00 0.00 C ATOM 439 CG1 ILE A 55 2.005 7.802 1.759 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.892 9.457 1.815 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.654 6.807 2.695 1.00 0.00 C ATOM 0 H ILE A 55 0.029 9.336 2.846 1.00 0.00 H new ATOM 0 HA ILE A 55 2.511 8.996 4.169 1.00 0.00 H new ATOM 0 HB ILE A 55 1.863 9.895 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.922 7.708 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.272 7.549 0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.154 9.168 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.144 10.506 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.449 8.841 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.326 5.799 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.738 6.871 2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.367 7.033 3.722 1.00 0.00 H new ATOM 453 N THR A 56 3.462 11.256 4.564 1.00 0.00 N ATOM 454 CA THR A 56 3.945 12.580 4.935 1.00 0.00 C ATOM 455 C THR A 56 5.377 12.797 4.460 1.00 0.00 C ATOM 456 O THR A 56 6.133 11.851 4.237 1.00 0.00 O ATOM 457 CB THR A 56 3.881 12.797 6.458 1.00 0.00 C ATOM 458 OG1 THR A 56 4.741 11.856 7.114 1.00 0.00 O ATOM 459 CG2 THR A 56 2.458 12.615 6.963 1.00 0.00 C ATOM 0 H THR A 56 3.966 10.485 5.002 1.00 0.00 H new ATOM 0 HA THR A 56 3.291 13.302 4.447 1.00 0.00 H new ATOM 0 HB THR A 56 4.207 13.813 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.701 11.996 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.432 12.772 8.041 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.804 13.337 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.117 11.605 6.735 1.00 0.00 H new ATOM 467 N PRO A 57 5.763 14.072 4.301 1.00 0.00 N ATOM 468 CA PRO A 57 7.130 14.445 3.927 1.00 0.00 C ATOM 469 C PRO A 57 8.147 14.078 5.003 1.00 0.00 C ATOM 470 O PRO A 57 9.345 13.998 4.736 1.00 0.00 O ATOM 471 CB PRO A 57 7.052 15.959 3.710 1.00 0.00 C ATOM 472 CG PRO A 57 5.891 16.394 4.537 1.00 0.00 C ATOM 473 CD PRO A 57 4.896 15.268 4.452 1.00 0.00 C ATOM 0 HA PRO A 57 7.473 13.911 3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.971 16.453 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.904 16.202 2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.190 16.577 5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.466 17.324 4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.276 15.208 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.221 15.388 3.604 1.00 0.00 H new ATOM 481 N HIS A 58 7.659 13.857 6.220 1.00 0.00 N ATOM 482 CA HIS A 58 8.524 13.480 7.332 1.00 0.00 C ATOM 483 C HIS A 58 8.785 11.977 7.332 1.00 0.00 C ATOM 484 O HIS A 58 9.880 11.529 7.667 1.00 0.00 O ATOM 485 CB HIS A 58 7.909 13.907 8.668 1.00 0.00 C ATOM 486 CG HIS A 58 7.795 15.391 8.832 1.00 0.00 C ATOM 487 ND1 HIS A 58 8.898 16.211 8.955 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.714 16.201 8.893 1.00 0.00 C ATOM 489 CE1 HIS A 58 8.496 17.464 9.084 1.00 0.00 C ATOM 490 NE2 HIS A 58 7.177 17.485 9.050 1.00 0.00 N ATOM 0 H HIS A 58 6.671 13.932 6.461 1.00 0.00 H new ATOM 0 HA HIS A 58 9.475 13.997 7.205 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.918 13.463 8.760 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.514 13.506 9.481 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.680 15.896 8.830 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.138 18.325 9.198 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.595 18.319 9.128 1.00 0.00 H new ATOM 498 N ASN A 59 7.772 11.205 6.954 1.00 0.00 N ATOM 499 CA ASN A 59 7.909 9.756 6.853 1.00 0.00 C ATOM 500 C ASN A 59 7.894 9.308 5.395 1.00 0.00 C ATOM 501 O ASN A 59 7.584 8.156 5.092 1.00 0.00 O ATOM 502 CB ASN A 59 6.827 9.039 7.638 1.00 0.00 C ATOM 503 CG ASN A 59 6.903 9.267 9.122 1.00 0.00 C ATOM 504 OD1 ASN A 59 7.846 8.830 9.791 1.00 0.00 O ATOM 505 ND2 ASN A 59 5.875 9.880 9.652 1.00 0.00 N ATOM 0 H ASN A 59 6.846 11.558 6.712 1.00 0.00 H new ATOM 0 HA ASN A 59 8.872 9.489 7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.852 9.368 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.896 7.969 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.827 10.015 10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.122 10.222 9.055 1.00 0.00 H new ATOM 512 N TYR A 60 8.230 10.227 4.496 1.00 0.00 N ATOM 513 CA TYR A 60 8.212 9.939 3.067 1.00 0.00 C ATOM 514 C TYR A 60 9.169 8.801 2.728 1.00 0.00 C ATOM 515 O TYR A 60 8.793 7.835 2.063 1.00 0.00 O ATOM 516 CB TYR A 60 8.572 11.191 2.263 1.00 0.00 C ATOM 517 CG TYR A 60 8.628 10.965 0.769 1.00 0.00 C ATOM 518 CD1 TYR A 60 7.466 10.930 0.010 1.00 0.00 C ATOM 519 CD2 TYR A 60 9.841 10.787 0.121 1.00 0.00 C ATOM 520 CE1 TYR A 60 7.511 10.724 -1.355 1.00 0.00 C ATOM 521 CE2 TYR A 60 9.897 10.580 -1.244 1.00 0.00 C ATOM 522 CZ TYR A 60 8.729 10.550 -1.979 1.00 0.00 C ATOM 523 OH TYR A 60 8.780 10.345 -3.338 1.00 0.00 O ATOM 0 H TYR A 60 8.518 11.177 4.732 1.00 0.00 H new ATOM 0 HA TYR A 60 7.202 9.628 2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.840 11.970 2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.540 11.562 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.511 11.066 0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.757 10.811 0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.598 10.699 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.850 10.442 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 60 9.713 10.242 -3.619 1.00 0.00 H new ATOM 533 N TRP A 61 10.409 8.924 3.189 1.00 0.00 N ATOM 534 CA TRP A 61 11.449 7.958 2.849 1.00 0.00 C ATOM 535 C TRP A 61 11.275 6.669 3.646 1.00 0.00 C ATOM 536 O TRP A 61 11.658 5.593 3.190 1.00 0.00 O ATOM 537 CB TRP A 61 12.835 8.552 3.105 1.00 0.00 C ATOM 538 CG TRP A 61 13.164 9.711 2.212 1.00 0.00 C ATOM 539 CD1 TRP A 61 13.302 11.014 2.586 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.395 9.670 0.799 1.00 0.00 C ATOM 541 NE1 TRP A 61 13.604 11.790 1.494 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.670 10.986 0.385 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.399 8.646 -0.156 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.939 11.308 -0.936 1.00 0.00 C ATOM 545 CZ3 TRP A 61 13.672 8.969 -1.479 1.00 0.00 C ATOM 546 CH2 TRP A 61 13.936 10.261 -1.859 1.00 0.00 C ATOM 0 H TRP A 61 10.719 9.681 3.798 1.00 0.00 H new ATOM 0 HA TRP A 61 11.358 7.722 1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.897 8.875 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 61 13.586 7.774 2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 61 13.190 11.383 3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.755 12.799 1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.194 7.625 0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.142 12.325 -1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.677 8.187 -2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.146 10.473 -2.897 1.00 0.00 H new ATOM 557 N GLN A 62 10.697 6.787 4.835 1.00 0.00 N ATOM 558 CA GLN A 62 10.397 5.620 5.658 1.00 0.00 C ATOM 559 C GLN A 62 9.374 4.721 4.972 1.00 0.00 C ATOM 560 O GLN A 62 9.542 3.503 4.918 1.00 0.00 O ATOM 561 CB GLN A 62 9.873 6.051 7.030 1.00 0.00 C ATOM 562 CG GLN A 62 9.619 4.899 7.989 1.00 0.00 C ATOM 563 CD GLN A 62 10.890 4.153 8.345 1.00 0.00 C ATOM 564 OE1 GLN A 62 11.918 4.760 8.655 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.828 2.827 8.302 1.00 0.00 N ATOM 0 H GLN A 62 10.426 7.678 5.251 1.00 0.00 H new ATOM 0 HA GLN A 62 11.321 5.057 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.591 6.734 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.946 6.607 6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.159 5.283 8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.908 4.206 7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.957 2.365 8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.651 2.270 8.531 1.00 0.00 H new ATOM 574 N TRP A 63 8.314 5.329 4.452 1.00 0.00 N ATOM 575 CA TRP A 63 7.309 4.595 3.692 1.00 0.00 C ATOM 576 C TRP A 63 7.866 4.144 2.345 1.00 0.00 C ATOM 577 O TRP A 63 7.623 3.019 1.910 1.00 0.00 O ATOM 578 CB TRP A 63 6.062 5.456 3.486 1.00 0.00 C ATOM 579 CG TRP A 63 5.038 5.298 4.569 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.903 6.072 5.682 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.007 4.305 4.642 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.854 5.624 6.445 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.286 4.539 5.826 1.00 0.00 C ATOM 584 CE3 TRP A 63 3.625 3.239 3.818 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.211 3.752 6.209 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.546 2.451 4.202 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.859 2.702 5.363 1.00 0.00 C ATOM 0 H TRP A 63 8.128 6.328 4.543 1.00 0.00 H new ATOM 0 HA TRP A 63 7.034 3.708 4.263 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.359 6.503 3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.608 5.200 2.528 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.531 6.916 5.928 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.547 6.031 7.328 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.158 3.033 2.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.670 3.944 7.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.243 1.626 3.575 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.024 2.070 5.628 1.00 0.00 H new ATOM 598 N ALA A 64 8.611 5.028 1.692 1.00 0.00 N ATOM 599 CA ALA A 64 9.154 4.740 0.372 1.00 0.00 C ATOM 600 C ALA A 64 10.035 3.496 0.399 1.00 0.00 C ATOM 601 O ALA A 64 10.130 2.769 -0.589 1.00 0.00 O ATOM 602 CB ALA A 64 9.942 5.935 -0.146 1.00 0.00 C ATOM 0 H ALA A 64 8.852 5.950 2.056 1.00 0.00 H new ATOM 0 HA ALA A 64 8.320 4.547 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.342 5.706 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.285 6.803 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.763 6.153 0.537 1.00 0.00 H new ATOM 608 N SER A 65 10.679 3.258 1.537 1.00 0.00 N ATOM 609 CA SER A 65 11.557 2.105 1.692 1.00 0.00 C ATOM 610 C SER A 65 10.754 0.808 1.713 1.00 0.00 C ATOM 611 O SER A 65 11.082 -0.150 1.015 1.00 0.00 O ATOM 612 CB SER A 65 12.383 2.239 2.958 1.00 0.00 C ATOM 613 OG SER A 65 13.228 1.139 3.155 1.00 0.00 O ATOM 0 H SER A 65 10.609 3.849 2.365 1.00 0.00 H new ATOM 0 HA SER A 65 12.231 2.071 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.980 3.149 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.718 2.343 3.815 1.00 0.00 H new ATOM 0 HG SER A 65 13.743 1.265 3.979 1.00 0.00 H new ATOM 619 N ARG A 66 9.700 0.787 2.522 1.00 0.00 N ATOM 620 CA ARG A 66 8.929 -0.431 2.742 1.00 0.00 C ATOM 621 C ARG A 66 8.003 -0.710 1.560 1.00 0.00 C ATOM 622 O ARG A 66 7.619 -1.854 1.316 1.00 0.00 O ATOM 623 CB ARG A 66 8.165 -0.399 4.057 1.00 0.00 C ATOM 624 CG ARG A 66 6.995 0.571 4.093 1.00 0.00 C ATOM 625 CD ARG A 66 6.042 0.341 5.209 1.00 0.00 C ATOM 626 NE ARG A 66 6.630 0.450 6.534 1.00 0.00 N ATOM 627 CZ ARG A 66 6.705 1.591 7.247 1.00 0.00 C ATOM 628 NH1 ARG A 66 6.266 2.728 6.754 1.00 0.00 N ATOM 629 NH2 ARG A 66 7.254 1.542 8.448 1.00 0.00 N ATOM 0 H ARG A 66 9.360 1.600 3.036 1.00 0.00 H new ATOM 0 HA ARG A 66 9.638 -1.255 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.794 -1.402 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.858 -0.140 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.383 1.587 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.454 0.504 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.226 1.059 5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.606 -0.652 5.099 1.00 0.00 H new ATOM 0 HE ARG A 66 7.013 -0.397 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.861 2.756 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.330 3.582 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.607 0.657 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.325 2.389 9.011 1.00 0.00 H new ATOM 643 N THR A 67 7.652 0.343 0.829 1.00 0.00 N ATOM 644 CA THR A 67 6.723 0.222 -0.288 1.00 0.00 C ATOM 645 C THR A 67 7.468 0.051 -1.606 1.00 0.00 C ATOM 646 O THR A 67 6.858 0.013 -2.673 1.00 0.00 O ATOM 647 CB THR A 67 5.797 1.449 -0.387 1.00 0.00 C ATOM 648 OG1 THR A 67 6.586 2.632 -0.571 1.00 0.00 O ATOM 649 CG2 THR A 67 4.962 1.591 0.875 1.00 0.00 C ATOM 0 H THR A 67 7.997 1.289 0.990 1.00 0.00 H new ATOM 0 HA THR A 67 6.117 -0.664 -0.100 1.00 0.00 H new ATOM 0 HB THR A 67 5.129 1.314 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.899 2.955 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.314 2.463 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.352 0.698 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.620 1.714 1.735 1.00 0.00 H new ATOM 657 N ASN A 68 8.790 -0.053 -1.524 1.00 0.00 N ATOM 658 CA ASN A 68 9.626 -0.143 -2.716 1.00 0.00 C ATOM 659 C ASN A 68 9.284 0.967 -3.705 1.00 0.00 C ATOM 660 O ASN A 68 8.844 0.701 -4.824 1.00 0.00 O ATOM 661 CB ASN A 68 9.501 -1.501 -3.382 1.00 0.00 C ATOM 662 CG ASN A 68 10.561 -1.770 -4.414 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.654 -1.193 -4.374 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.216 -2.581 -5.381 1.00 0.00 N ATOM 0 H ASN A 68 9.306 -0.077 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 68 10.661 -0.019 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.547 -2.276 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.521 -1.576 -3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.862 -2.762 -6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.301 -3.032 -5.366 1.00 0.00 H new ATOM 671 N ASN A 69 9.490 2.211 -3.285 1.00 0.00 N ATOM 672 CA ASN A 69 9.215 3.361 -4.139 1.00 0.00 C ATOM 673 C ASN A 69 7.725 3.463 -4.452 1.00 0.00 C ATOM 674 O ASN A 69 7.337 3.840 -5.557 1.00 0.00 O ATOM 675 CB ASN A 69 10.021 3.304 -5.424 1.00 0.00 C ATOM 676 CG ASN A 69 10.186 4.641 -6.092 1.00 0.00 C ATOM 677 OD1 ASN A 69 10.187 5.690 -5.439 1.00 0.00 O ATOM 678 ND2 ASN A 69 10.246 4.614 -7.400 1.00 0.00 N ATOM 0 H ASN A 69 9.846 2.448 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 69 9.517 4.253 -3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.006 2.892 -5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.535 2.618 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.297 5.486 -7.926 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.242 3.721 -7.892 1.00 0.00 H new ATOM 685 N PHE A 70 6.896 3.126 -3.470 1.00 0.00 N ATOM 686 CA PHE A 70 5.449 3.192 -3.636 1.00 0.00 C ATOM 687 C PHE A 70 5.001 2.371 -4.842 1.00 0.00 C ATOM 688 O PHE A 70 4.115 2.780 -5.591 1.00 0.00 O ATOM 689 CB PHE A 70 4.993 4.645 -3.784 1.00 0.00 C ATOM 690 CG PHE A 70 5.351 5.515 -2.615 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.597 5.484 -1.451 1.00 0.00 C ATOM 692 CD2 PHE A 70 6.442 6.369 -2.674 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.924 6.284 -0.374 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.772 7.171 -1.598 1.00 0.00 C ATOM 695 CZ PHE A 70 6.013 7.129 -0.449 1.00 0.00 C ATOM 0 H PHE A 70 7.201 2.805 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 70 4.987 2.769 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.437 5.065 -4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.912 4.664 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.743 4.826 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.041 6.408 -3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.328 6.249 0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.625 7.831 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.270 7.756 0.392 1.00 0.00 H new ATOM 705 N LYS A 71 5.623 1.211 -5.024 1.00 0.00 N ATOM 706 CA LYS A 71 5.226 0.288 -6.080 1.00 0.00 C ATOM 707 C LYS A 71 4.511 -0.928 -5.500 1.00 0.00 C ATOM 708 O LYS A 71 5.141 -1.817 -4.928 1.00 0.00 O ATOM 709 CB LYS A 71 6.444 -0.155 -6.892 1.00 0.00 C ATOM 710 CG LYS A 71 6.107 -0.835 -8.213 1.00 0.00 C ATOM 711 CD LYS A 71 5.854 0.187 -9.313 1.00 0.00 C ATOM 712 CE LYS A 71 5.783 -0.477 -10.679 1.00 0.00 C ATOM 713 NZ LYS A 71 5.664 0.521 -11.777 1.00 0.00 N ATOM 0 H LYS A 71 6.404 0.888 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 71 4.535 0.811 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.067 0.716 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.039 -0.839 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.926 -1.492 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.225 -1.462 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.921 0.715 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.649 0.932 -9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.676 -1.083 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.929 -1.154 -10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.618 0.027 -12.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.799 1.083 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.491 1.151 -11.765 1.00 0.00 H new ATOM 727 N LEU A 72 3.191 -0.961 -5.654 1.00 0.00 N ATOM 728 CA LEU A 72 2.380 -2.026 -5.072 1.00 0.00 C ATOM 729 C LEU A 72 1.433 -2.617 -6.111 1.00 0.00 C ATOM 730 O LEU A 72 1.000 -1.929 -7.037 1.00 0.00 O ATOM 731 CB LEU A 72 1.579 -1.491 -3.883 1.00 0.00 C ATOM 732 CG LEU A 72 2.393 -0.832 -2.769 1.00 0.00 C ATOM 733 CD1 LEU A 72 2.525 0.664 -3.017 1.00 0.00 C ATOM 734 CD2 LEU A 72 1.754 -1.094 -1.414 1.00 0.00 C ATOM 0 H LEU A 72 2.660 -0.264 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 72 3.050 -2.813 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.855 -0.766 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.011 -2.316 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 72 3.391 -1.270 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.107 1.116 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.028 0.832 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.534 1.117 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.347 -0.617 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.744 -0.685 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.712 -2.168 -1.233 1.00 0.00 H new ATOM 746 N LEU A 73 1.114 -3.897 -5.953 1.00 0.00 N ATOM 747 CA LEU A 73 0.264 -4.598 -6.907 1.00 0.00 C ATOM 748 C LEU A 73 -0.934 -5.231 -6.209 1.00 0.00 C ATOM 749 O LEU A 73 -0.898 -5.497 -5.006 1.00 0.00 O ATOM 750 CB LEU A 73 1.072 -5.666 -7.656 1.00 0.00 C ATOM 751 CG LEU A 73 2.331 -5.153 -8.364 1.00 0.00 C ATOM 752 CD1 LEU A 73 3.502 -5.123 -7.392 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.644 -6.044 -9.557 1.00 0.00 C ATOM 0 H LEU A 73 1.432 -4.471 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.110 -3.871 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.363 -6.442 -6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.424 -6.137 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 73 2.158 -4.138 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.391 -4.757 -7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.266 -4.462 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.688 -6.129 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.539 -5.678 -10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.812 -7.065 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.805 -6.028 -10.253 1.00 0.00 H new ATOM 765 N THR A 74 -1.998 -5.472 -6.969 1.00 0.00 N ATOM 766 CA THR A 74 -3.238 -5.993 -6.406 1.00 0.00 C ATOM 767 C THR A 74 -3.988 -6.844 -7.424 1.00 0.00 C ATOM 768 O THR A 74 -4.051 -6.505 -8.607 1.00 0.00 O ATOM 769 CB THR A 74 -4.159 -4.858 -5.922 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.336 -5.417 -5.323 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.561 -3.965 -7.084 1.00 0.00 C ATOM 0 H THR A 74 -2.026 -5.315 -7.976 1.00 0.00 H new ATOM 0 HA THR A 74 -2.961 -6.612 -5.552 1.00 0.00 H new ATOM 0 HB THR A 74 -3.619 -4.260 -5.188 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.128 -5.721 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.212 -3.169 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.669 -3.529 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.091 -4.556 -7.831 1.00 0.00 H new ATOM 779 N ASP A 75 -4.558 -7.951 -6.958 1.00 0.00 N ATOM 780 CA ASP A 75 -5.354 -8.819 -7.816 1.00 0.00 C ATOM 781 C ASP A 75 -6.532 -9.412 -7.046 1.00 0.00 C ATOM 782 O ASP A 75 -6.458 -10.534 -6.549 1.00 0.00 O ATOM 783 CB ASP A 75 -4.488 -9.938 -8.400 1.00 0.00 C ATOM 784 CG ASP A 75 -5.171 -10.760 -9.486 1.00 0.00 C ATOM 785 OD1 ASP A 75 -6.316 -10.503 -9.766 1.00 0.00 O ATOM 786 OD2 ASP A 75 -4.498 -11.529 -10.130 1.00 0.00 O ATOM 0 H ASP A 75 -4.483 -8.267 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.746 -8.216 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.578 -9.500 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.185 -10.605 -7.593 1.00 0.00 H new ATOM 791 N GLY A 76 -7.615 -8.648 -6.954 1.00 0.00 N ATOM 792 CA GLY A 76 -8.802 -9.125 -6.268 1.00 0.00 C ATOM 793 C GLY A 76 -8.553 -9.397 -4.797 1.00 0.00 C ATOM 794 O GLY A 76 -9.254 -10.199 -4.180 1.00 0.00 O ATOM 0 H GLY A 76 -7.692 -7.708 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.597 -8.386 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.153 -10.038 -6.749 1.00 0.00 H new ATOM 798 N GLU A 77 -7.549 -8.730 -4.236 1.00 0.00 N ATOM 799 CA GLU A 77 -7.156 -8.966 -2.851 1.00 0.00 C ATOM 800 C GLU A 77 -6.507 -7.722 -2.251 1.00 0.00 C ATOM 801 O GLU A 77 -6.474 -6.663 -2.877 1.00 0.00 O ATOM 802 CB GLU A 77 -6.200 -10.157 -2.761 1.00 0.00 C ATOM 803 CG GLU A 77 -4.897 -9.977 -3.525 1.00 0.00 C ATOM 804 CD GLU A 77 -4.040 -11.211 -3.442 1.00 0.00 C ATOM 805 OE1 GLU A 77 -4.422 -12.214 -3.994 1.00 0.00 O ATOM 806 OE2 GLU A 77 -2.952 -11.120 -2.925 1.00 0.00 O ATOM 0 H GLU A 77 -6.994 -8.023 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.055 -9.194 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.969 -10.343 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.708 -11.044 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.113 -9.751 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.351 -9.124 -3.121 1.00 0.00 H new ATOM 813 N TRP A 78 -5.992 -7.860 -1.035 1.00 0.00 N ATOM 814 CA TRP A 78 -5.252 -6.780 -0.390 1.00 0.00 C ATOM 815 C TRP A 78 -4.048 -6.371 -1.231 1.00 0.00 C ATOM 816 O TRP A 78 -3.500 -7.176 -1.983 1.00 0.00 O ATOM 817 CB TRP A 78 -4.794 -7.208 1.004 1.00 0.00 C ATOM 818 CG TRP A 78 -3.804 -8.333 0.985 1.00 0.00 C ATOM 819 CD1 TRP A 78 -3.576 -9.207 -0.040 1.00 0.00 C ATOM 820 CD2 TRP A 78 -2.910 -8.706 2.038 1.00 0.00 C ATOM 821 NE1 TRP A 78 -2.594 -10.101 0.314 1.00 0.00 N ATOM 822 CE2 TRP A 78 -2.168 -9.814 1.584 1.00 0.00 C ATOM 823 CE3 TRP A 78 -2.661 -8.210 3.321 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -1.199 -10.433 2.368 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.698 -8.826 4.098 1.00 0.00 C ATOM 826 CH2 TRP A 78 -0.976 -9.927 3.620 1.00 0.00 C ATOM 0 H TRP A 78 -6.073 -8.709 -0.475 1.00 0.00 H new ATOM 0 HA TRP A 78 -5.917 -5.921 -0.297 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.350 -6.352 1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.664 -7.509 1.588 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -4.092 -9.197 -0.989 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.240 -10.856 -0.274 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.211 -7.361 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.642 -11.283 2.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.499 -8.452 5.091 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.229 -10.385 4.251 1.00 0.00 H new ATOM 837 N VAL A 79 -3.642 -5.111 -1.099 1.00 0.00 N ATOM 838 CA VAL A 79 -2.534 -4.580 -1.885 1.00 0.00 C ATOM 839 C VAL A 79 -1.193 -4.908 -1.238 1.00 0.00 C ATOM 840 O VAL A 79 -0.964 -4.597 -0.069 1.00 0.00 O ATOM 841 CB VAL A 79 -2.647 -3.054 -2.063 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.474 -2.523 -2.873 1.00 0.00 C ATOM 843 CG2 VAL A 79 -3.964 -2.692 -2.736 1.00 0.00 C ATOM 0 H VAL A 79 -4.063 -4.440 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.588 -5.055 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.623 -2.590 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.571 -1.443 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.542 -2.751 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.468 -2.994 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.027 -1.610 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.015 -3.167 -3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.794 -3.039 -2.121 1.00 0.00 H new ATOM 853 N TRP A 80 -0.311 -5.538 -2.005 1.00 0.00 N ATOM 854 CA TRP A 80 0.977 -5.979 -1.483 1.00 0.00 C ATOM 855 C TRP A 80 2.123 -5.224 -2.152 1.00 0.00 C ATOM 856 O TRP A 80 2.001 -4.771 -3.289 1.00 0.00 O ATOM 857 CB TRP A 80 1.151 -7.486 -1.689 1.00 0.00 C ATOM 858 CG TRP A 80 1.370 -7.873 -3.120 1.00 0.00 C ATOM 859 CD1 TRP A 80 2.548 -7.833 -3.804 1.00 0.00 C ATOM 860 CD2 TRP A 80 0.386 -8.360 -4.041 1.00 0.00 C ATOM 861 NE1 TRP A 80 2.361 -8.263 -5.094 1.00 0.00 N ATOM 862 CE2 TRP A 80 1.040 -8.594 -5.264 1.00 0.00 C ATOM 863 CE3 TRP A 80 -0.986 -8.622 -3.948 1.00 0.00 C ATOM 864 CZ2 TRP A 80 0.376 -9.073 -6.382 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -1.652 -9.104 -5.069 1.00 0.00 C ATOM 866 CH2 TRP A 80 -0.990 -9.323 -6.250 1.00 0.00 C ATOM 0 H TRP A 80 -0.464 -5.755 -2.990 1.00 0.00 H new ATOM 0 HA TRP A 80 0.999 -5.764 -0.415 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.997 -7.831 -1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.267 -8.000 -1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.492 -7.510 -3.391 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.085 -8.326 -5.809 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.517 -8.453 -3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.893 -9.245 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.710 -9.310 -5.009 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.541 -9.699 -7.100 1.00 0.00 H new ATOM 877 N VAL A 81 3.235 -5.092 -1.436 1.00 0.00 N ATOM 878 CA VAL A 81 4.396 -4.379 -1.952 1.00 0.00 C ATOM 879 C VAL A 81 5.210 -5.262 -2.890 1.00 0.00 C ATOM 880 O VAL A 81 5.467 -6.428 -2.595 1.00 0.00 O ATOM 881 CB VAL A 81 5.305 -3.880 -0.813 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.559 -3.229 -1.378 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.554 -2.902 0.078 1.00 0.00 C ATOM 0 H VAL A 81 3.356 -5.470 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 81 4.018 -3.519 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 81 5.603 -4.738 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.189 -2.882 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.108 -3.956 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.279 -2.382 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.211 -2.560 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.227 -2.047 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.685 -3.397 0.510 1.00 0.00 H new ATOM 893 N GLU A 82 5.616 -4.696 -4.023 1.00 0.00 N ATOM 894 CA GLU A 82 6.391 -5.437 -5.012 1.00 0.00 C ATOM 895 C GLU A 82 7.626 -6.066 -4.373 1.00 0.00 C ATOM 896 O GLU A 82 8.366 -5.409 -3.644 1.00 0.00 O ATOM 897 CB GLU A 82 6.802 -4.521 -6.167 1.00 0.00 C ATOM 898 CG GLU A 82 7.535 -5.227 -7.298 1.00 0.00 C ATOM 899 CD GLU A 82 7.883 -4.271 -8.406 1.00 0.00 C ATOM 900 OE1 GLU A 82 8.609 -3.340 -8.154 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.516 -4.533 -9.526 1.00 0.00 O ATOM 0 H GLU A 82 5.421 -3.728 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 82 5.762 -6.236 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.910 -4.043 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.439 -3.728 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.445 -5.687 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.913 -6.031 -7.691 1.00 0.00 H new ATOM 908 N GLY A 83 7.841 -7.349 -4.654 1.00 0.00 N ATOM 909 CA GLY A 83 8.998 -8.041 -4.117 1.00 0.00 C ATOM 910 C GLY A 83 8.665 -8.860 -2.886 1.00 0.00 C ATOM 911 O GLY A 83 9.473 -9.670 -2.432 1.00 0.00 O ATOM 0 H GLY A 83 7.235 -7.920 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.414 -8.695 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.769 -7.313 -3.867 1.00 0.00 H new ATOM 915 N TYR A 84 7.473 -8.647 -2.341 1.00 0.00 N ATOM 916 CA TYR A 84 7.035 -9.368 -1.151 1.00 0.00 C ATOM 917 C TYR A 84 5.846 -10.269 -1.465 1.00 0.00 C ATOM 918 O TYR A 84 4.993 -10.509 -0.612 1.00 0.00 O ATOM 919 CB TYR A 84 6.672 -8.387 -0.034 1.00 0.00 C ATOM 920 CG TYR A 84 7.828 -7.524 0.425 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.763 -8.009 1.327 1.00 0.00 C ATOM 922 CD2 TYR A 84 7.978 -6.228 -0.045 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.820 -7.226 1.748 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.033 -5.436 0.369 1.00 0.00 C ATOM 925 CZ TYR A 84 9.951 -5.939 1.267 1.00 0.00 C ATOM 926 OH TYR A 84 11.002 -5.155 1.685 1.00 0.00 O ATOM 0 H TYR A 84 6.792 -7.980 -2.704 1.00 0.00 H new ATOM 0 HA TYR A 84 7.861 -9.995 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.864 -7.742 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.289 -8.948 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.663 -9.015 1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.259 -5.831 -0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.540 -7.619 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.138 -4.430 -0.009 1.00 0.00 H new ATOM 0 HH TYR A 84 10.949 -4.278 1.251 1.00 0.00 H new ATOM 936 N GLU A 85 5.798 -10.767 -2.698 1.00 0.00 N ATOM 937 CA GLU A 85 4.762 -11.711 -3.100 1.00 0.00 C ATOM 938 C GLU A 85 4.834 -12.985 -2.265 1.00 0.00 C ATOM 939 O GLU A 85 3.867 -13.742 -2.184 1.00 0.00 O ATOM 940 CB GLU A 85 4.888 -12.044 -4.588 1.00 0.00 C ATOM 941 CG GLU A 85 4.774 -10.842 -5.514 1.00 0.00 C ATOM 942 CD GLU A 85 6.079 -10.101 -5.609 1.00 0.00 C ATOM 943 OE1 GLU A 85 7.060 -10.596 -5.108 1.00 0.00 O ATOM 944 OE2 GLU A 85 6.119 -9.095 -6.279 1.00 0.00 O ATOM 0 H GLU A 85 6.464 -10.532 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 85 3.793 -11.243 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.849 -12.529 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.115 -12.766 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.468 -11.172 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.998 -10.170 -5.148 1.00 0.00 H new ATOM 951 N GLU A 86 5.988 -13.217 -1.648 1.00 0.00 N ATOM 952 CA GLU A 86 6.146 -14.325 -0.713 1.00 0.00 C ATOM 953 C GLU A 86 5.232 -14.150 0.496 1.00 0.00 C ATOM 954 O GLU A 86 4.740 -15.126 1.064 1.00 0.00 O ATOM 955 CB GLU A 86 7.604 -14.445 -0.262 1.00 0.00 C ATOM 956 CG GLU A 86 7.871 -15.590 0.703 1.00 0.00 C ATOM 957 CD GLU A 86 9.330 -15.680 1.054 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.092 -14.892 0.548 1.00 0.00 O ATOM 959 OE2 GLU A 86 9.668 -16.462 1.911 1.00 0.00 O ATOM 0 H GLU A 86 6.827 -12.653 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 86 5.863 -15.243 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.234 -14.573 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.903 -13.510 0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.285 -15.448 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.544 -16.529 0.256 1.00 0.00 H new ATOM 966 N HIS A 87 5.011 -12.898 0.887 1.00 0.00 N ATOM 967 CA HIS A 87 4.284 -12.598 2.114 1.00 0.00 C ATOM 968 C HIS A 87 2.777 -12.670 1.884 1.00 0.00 C ATOM 969 O HIS A 87 1.988 -12.539 2.822 1.00 0.00 O ATOM 970 CB HIS A 87 4.668 -11.215 2.650 1.00 0.00 C ATOM 971 CG HIS A 87 6.093 -11.121 3.101 1.00 0.00 C ATOM 972 ND1 HIS A 87 6.600 -10.006 3.737 1.00 0.00 N ATOM 973 CD2 HIS A 87 7.119 -11.999 3.008 1.00 0.00 C ATOM 974 CE1 HIS A 87 7.876 -10.205 4.017 1.00 0.00 C ATOM 975 NE2 HIS A 87 8.215 -11.406 3.585 1.00 0.00 N ATOM 0 H HIS A 87 5.325 -12.076 0.371 1.00 0.00 H new ATOM 0 HA HIS A 87 4.559 -13.348 2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.492 -10.472 1.873 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.014 -10.964 3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 87 7.082 -12.982 2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 87 8.530 -9.505 4.515 1.00 0.00 H new ATOM 0 HE2 HIS A 87 9.141 -11.825 3.667 1.00 0.00 H new ATOM 983 N ILE A 88 2.384 -12.877 0.633 1.00 0.00 N ATOM 984 CA ILE A 88 0.974 -13.004 0.284 1.00 0.00 C ATOM 985 C ILE A 88 0.350 -14.223 0.955 1.00 0.00 C ATOM 986 O ILE A 88 0.837 -15.344 0.806 1.00 0.00 O ATOM 987 CB ILE A 88 0.773 -13.106 -1.239 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.185 -11.798 -1.920 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.673 -13.448 -1.563 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.198 -11.874 -3.429 1.00 0.00 C ATOM 0 H ILE A 88 3.023 -12.961 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 88 0.479 -12.102 0.643 1.00 0.00 H new ATOM 0 HB ILE A 88 1.407 -13.906 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.501 -11.007 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.178 -11.515 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.797 -13.516 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.932 -14.404 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.328 -12.670 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.499 -10.910 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.903 -12.641 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.201 -12.126 -3.789 1.00 0.00 H new ATOM 1002 N GLY A 89 -0.733 -13.999 1.693 1.00 0.00 N ATOM 1003 CA GLY A 89 -1.399 -15.087 2.384 1.00 0.00 C ATOM 1004 C GLY A 89 -0.845 -15.314 3.776 1.00 0.00 C ATOM 1005 O GLY A 89 -1.126 -16.336 4.406 1.00 0.00 O ATOM 0 H GLY A 89 -1.161 -13.083 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.465 -14.872 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.294 -16.002 1.801 1.00 0.00 H new ATOM 1009 N LYS A 90 -0.055 -14.363 4.260 1.00 0.00 N ATOM 1010 CA LYS A 90 0.492 -14.434 5.610 1.00 0.00 C ATOM 1011 C LYS A 90 0.019 -13.252 6.452 1.00 0.00 C ATOM 1012 O LYS A 90 -0.176 -12.152 5.935 1.00 0.00 O ATOM 1013 CB LYS A 90 2.020 -14.476 5.568 1.00 0.00 C ATOM 1014 CG LYS A 90 2.600 -15.795 5.077 1.00 0.00 C ATOM 1015 CD LYS A 90 2.749 -15.805 3.563 1.00 0.00 C ATOM 1016 CE LYS A 90 2.976 -17.214 3.037 1.00 0.00 C ATOM 1017 NZ LYS A 90 2.980 -17.259 1.550 1.00 0.00 N ATOM 0 H LYS A 90 0.222 -13.532 3.737 1.00 0.00 H new ATOM 0 HA LYS A 90 0.129 -15.352 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.376 -13.674 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.404 -14.274 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.572 -15.962 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.954 -16.616 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.854 -15.384 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.585 -15.168 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.926 -17.593 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.196 -17.873 3.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.104 -18.242 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.077 -16.890 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.762 -16.677 1.187 1.00 0.00 H new ATOM 1031 N GLN A 91 -0.161 -13.487 7.747 1.00 0.00 N ATOM 1032 CA GLN A 91 -0.622 -12.445 8.655 1.00 0.00 C ATOM 1033 C GLN A 91 0.552 -11.798 9.383 1.00 0.00 C ATOM 1034 O GLN A 91 1.050 -12.329 10.376 1.00 0.00 O ATOM 1035 CB GLN A 91 -1.611 -13.019 9.674 1.00 0.00 C ATOM 1036 CG GLN A 91 -2.216 -11.983 10.606 1.00 0.00 C ATOM 1037 CD GLN A 91 -3.060 -10.962 9.867 1.00 0.00 C ATOM 1038 OE1 GLN A 91 -3.874 -11.313 9.008 1.00 0.00 O ATOM 1039 NE2 GLN A 91 -2.868 -9.689 10.192 1.00 0.00 N ATOM 0 H GLN A 91 0.005 -14.390 8.191 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.126 -11.683 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.415 -13.523 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.102 -13.776 10.271 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.830 -12.485 11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.417 -11.470 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.185 -9.443 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.404 -8.957 9.726 1.00 0.00 H new ATOM 1048 N LEU A 92 0.990 -10.648 8.881 1.00 0.00 N ATOM 1049 CA LEU A 92 2.140 -9.953 9.450 1.00 0.00 C ATOM 1050 C LEU A 92 1.695 -8.760 10.290 1.00 0.00 C ATOM 1051 O LEU A 92 0.684 -8.116 10.010 1.00 0.00 O ATOM 1052 CB LEU A 92 3.092 -9.500 8.337 1.00 0.00 C ATOM 1053 CG LEU A 92 3.633 -10.623 7.442 1.00 0.00 C ATOM 1054 CD1 LEU A 92 4.496 -10.038 6.333 1.00 0.00 C ATOM 1055 CD2 LEU A 92 4.432 -11.605 8.286 1.00 0.00 C ATOM 0 H LEU A 92 0.566 -10.177 8.081 1.00 0.00 H new ATOM 0 HA LEU A 92 2.670 -10.647 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.573 -8.775 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.936 -8.981 8.792 1.00 0.00 H new ATOM 0 HG LEU A 92 2.800 -11.153 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.875 -10.843 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.898 -9.356 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.334 -9.496 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.816 -12.403 7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.265 -11.085 8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.788 -12.032 9.055 1.00 0.00 H new ATOM 1067 N PRO A 93 2.468 -8.455 11.343 1.00 0.00 N ATOM 1068 CA PRO A 93 2.205 -7.305 12.211 1.00 0.00 C ATOM 1069 C PRO A 93 2.485 -5.976 11.515 1.00 0.00 C ATOM 1070 O PRO A 93 3.190 -5.929 10.507 1.00 0.00 O ATOM 1071 CB PRO A 93 3.135 -7.527 13.409 1.00 0.00 C ATOM 1072 CG PRO A 93 4.274 -8.311 12.852 1.00 0.00 C ATOM 1073 CD PRO A 93 3.667 -9.216 11.814 1.00 0.00 C ATOM 0 HA PRO A 93 1.156 -7.241 12.500 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.473 -6.580 13.831 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.631 -8.071 14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.024 -7.655 12.411 1.00 0.00 H new ATOM 0 HG3 PRO A 93 4.773 -8.887 13.632 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.362 -9.414 10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.389 -10.181 12.237 1.00 0.00 H new ATOM 1081 N LEU A 94 1.927 -4.900 12.060 1.00 0.00 N ATOM 1082 CA LEU A 94 2.106 -3.572 11.484 1.00 0.00 C ATOM 1083 C LEU A 94 3.585 -3.203 11.417 1.00 0.00 C ATOM 1084 O LEU A 94 4.010 -2.464 10.530 1.00 0.00 O ATOM 1085 CB LEU A 94 1.331 -2.530 12.301 1.00 0.00 C ATOM 1086 CG LEU A 94 -0.197 -2.637 12.214 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -0.845 -1.660 13.183 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.645 -2.358 10.787 1.00 0.00 C ATOM 0 H LEU A 94 1.347 -4.921 12.899 1.00 0.00 H new ATOM 0 HA LEU A 94 1.713 -3.584 10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.627 -2.618 13.346 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.629 -1.536 11.968 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.507 -3.645 12.489 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.930 -1.744 13.113 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.528 -1.891 14.200 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.543 -0.643 12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.731 -2.434 10.725 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.334 -1.354 10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.191 -3.086 10.114 1.00 0.00 H new ATOM 1100 N ASN A 95 4.364 -3.725 12.359 1.00 0.00 N ATOM 1101 CA ASN A 95 5.799 -3.464 12.394 1.00 0.00 C ATOM 1102 C ASN A 95 6.501 -4.115 11.208 1.00 0.00 C ATOM 1103 O ASN A 95 7.515 -3.613 10.723 1.00 0.00 O ATOM 1104 CB ASN A 95 6.417 -3.936 13.699 1.00 0.00 C ATOM 1105 CG ASN A 95 6.067 -3.076 14.881 1.00 0.00 C ATOM 1106 OD1 ASN A 95 5.684 -1.909 14.734 1.00 0.00 O ATOM 1107 ND2 ASN A 95 6.278 -3.616 16.054 1.00 0.00 N ATOM 0 H ASN A 95 4.027 -4.330 13.107 1.00 0.00 H new ATOM 0 HA ASN A 95 5.936 -2.385 12.327 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.092 -4.958 13.896 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.501 -3.962 13.589 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.127 -3.069 16.902 1.00 0.00 H new ATOM 0 HD22 ASN A 95 6.594 -4.584 16.121 1.00 0.00 H new ATOM 1114 N GLN A 96 5.953 -5.235 10.747 1.00 0.00 N ATOM 1115 CA GLN A 96 6.568 -5.995 9.664 1.00 0.00 C ATOM 1116 C GLN A 96 5.620 -6.113 8.476 1.00 0.00 C ATOM 1117 O GLN A 96 5.707 -7.056 7.691 1.00 0.00 O ATOM 1118 CB GLN A 96 6.970 -7.391 10.148 1.00 0.00 C ATOM 1119 CG GLN A 96 8.021 -7.392 11.244 1.00 0.00 C ATOM 1120 CD GLN A 96 9.361 -6.868 10.760 1.00 0.00 C ATOM 1121 OE1 GLN A 96 9.858 -7.274 9.705 1.00 0.00 O ATOM 1122 NE2 GLN A 96 9.955 -5.965 11.531 1.00 0.00 N ATOM 0 H GLN A 96 5.086 -5.636 11.105 1.00 0.00 H new ATOM 0 HA GLN A 96 7.462 -5.459 9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.081 -7.907 10.512 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.346 -7.963 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 96 7.674 -6.781 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.146 -8.406 11.623 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.507 -5.658 12.395 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.859 -5.578 11.260 1.00 0.00 H new ATOM 1131 N ALA A 97 4.714 -5.148 8.349 1.00 0.00 N ATOM 1132 CA ALA A 97 3.673 -5.205 7.330 1.00 0.00 C ATOM 1133 C ALA A 97 4.234 -4.866 5.952 1.00 0.00 C ATOM 1134 O ALA A 97 5.025 -3.934 5.807 1.00 0.00 O ATOM 1135 CB ALA A 97 2.534 -4.262 7.686 1.00 0.00 C ATOM 0 H ALA A 97 4.680 -4.317 8.940 1.00 0.00 H new ATOM 0 HA ALA A 97 3.288 -6.224 7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.764 -4.315 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.108 -4.552 8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.913 -3.242 7.751 1.00 0.00 H new ATOM 1141 N ARG A 98 3.819 -5.629 4.947 1.00 0.00 N ATOM 1142 CA ARG A 98 4.183 -5.334 3.565 1.00 0.00 C ATOM 1143 C ARG A 98 2.968 -5.446 2.649 1.00 0.00 C ATOM 1144 O ARG A 98 3.101 -5.731 1.459 1.00 0.00 O ATOM 1145 CB ARG A 98 5.335 -6.200 3.078 1.00 0.00 C ATOM 1146 CG ARG A 98 6.653 -5.980 3.803 1.00 0.00 C ATOM 1147 CD ARG A 98 7.282 -4.660 3.543 1.00 0.00 C ATOM 1148 NE ARG A 98 8.609 -4.502 4.115 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.855 -4.129 5.386 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.871 -3.839 6.209 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.114 -4.038 5.777 1.00 0.00 N ATOM 0 H ARG A 98 3.232 -6.455 5.062 1.00 0.00 H new ATOM 0 HA ARG A 98 4.535 -4.303 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 98 5.051 -7.247 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.486 -6.013 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.486 -6.085 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.350 -6.765 3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.344 -4.507 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.634 -3.878 3.939 1.00 0.00 H new ATOM 0 HE ARG A 98 9.410 -4.687 3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.904 -3.895 5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.074 -3.558 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.868 -4.248 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.332 -3.758 6.733 1.00 0.00 H new ATOM 1165 N ALA A 99 1.786 -5.222 3.212 1.00 0.00 N ATOM 1166 CA ALA A 99 0.549 -5.294 2.445 1.00 0.00 C ATOM 1167 C ALA A 99 -0.629 -4.760 3.252 1.00 0.00 C ATOM 1168 O ALA A 99 -0.683 -4.919 4.471 1.00 0.00 O ATOM 1169 CB ALA A 99 0.283 -6.726 2.005 1.00 0.00 C ATOM 0 H ALA A 99 1.659 -4.989 4.197 1.00 0.00 H new ATOM 0 HA ALA A 99 0.663 -4.669 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.644 -6.765 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.108 -7.075 1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.195 -7.366 2.883 1.00 0.00 H new ATOM 1175 N TRP A 100 -1.572 -4.123 2.566 1.00 0.00 N ATOM 1176 CA TRP A 100 -2.750 -3.565 3.219 1.00 0.00 C ATOM 1177 C TRP A 100 -3.999 -3.790 2.375 1.00 0.00 C ATOM 1178 O TRP A 100 -3.945 -3.751 1.147 1.00 0.00 O ATOM 1179 CB TRP A 100 -2.555 -2.072 3.486 1.00 0.00 C ATOM 1180 CG TRP A 100 -1.314 -1.758 4.263 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -1.223 -1.549 5.607 1.00 0.00 C ATOM 1182 CD2 TRP A 100 0.016 -1.620 3.745 1.00 0.00 C ATOM 1183 NE1 TRP A 100 0.077 -1.288 5.959 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.858 -1.327 4.832 1.00 0.00 C ATOM 1185 CE3 TRP A 100 0.573 -1.718 2.465 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 2.222 -1.129 4.682 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.942 -1.519 2.315 1.00 0.00 C ATOM 1188 CH2 TRP A 100 2.742 -1.234 3.393 1.00 0.00 C ATOM 0 H TRP A 100 -1.543 -3.980 1.556 1.00 0.00 H new ATOM 0 HA TRP A 100 -2.884 -4.078 4.171 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -2.521 -1.543 2.534 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.420 -1.693 4.030 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.054 -1.584 6.295 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.409 -1.096 6.904 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.047 -1.944 1.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.855 -0.903 5.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.383 -1.590 1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.801 -1.087 3.239 1.00 0.00 H new ATOM 1199 N SER A 101 -5.124 -4.024 3.043 1.00 0.00 N ATOM 1200 CA SER A 101 -6.353 -4.410 2.358 1.00 0.00 C ATOM 1201 C SER A 101 -6.991 -3.206 1.668 1.00 0.00 C ATOM 1202 O SER A 101 -6.836 -2.069 2.113 1.00 0.00 O ATOM 1203 CB SER A 101 -7.325 -5.035 3.339 1.00 0.00 C ATOM 1204 OG SER A 101 -7.811 -4.104 4.265 1.00 0.00 O ATOM 0 H SER A 101 -5.210 -3.953 4.057 1.00 0.00 H new ATOM 0 HA SER A 101 -6.104 -5.146 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.161 -5.472 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.831 -5.849 3.869 1.00 0.00 H new ATOM 0 HG SER A 101 -8.435 -4.547 4.877 1.00 0.00 H new ATOM 1210 N TRP A 102 -7.706 -3.466 0.581 1.00 0.00 N ATOM 1211 CA TRP A 102 -8.531 -2.445 -0.055 1.00 0.00 C ATOM 1212 C TRP A 102 -9.599 -1.933 0.907 1.00 0.00 C ATOM 1213 O TRP A 102 -10.003 -0.774 0.837 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.190 -3.004 -1.315 1.00 0.00 C ATOM 1215 CG TRP A 102 -8.331 -2.886 -2.538 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -7.846 -3.908 -3.302 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -7.852 -1.675 -3.135 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.094 -3.408 -4.338 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.083 -2.039 -4.259 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -7.999 -0.318 -2.831 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -6.466 -1.096 -5.075 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -7.384 0.616 -3.643 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -6.626 0.224 -4.754 1.00 0.00 C ATOM 0 H TRP A 102 -7.732 -4.376 0.120 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.885 -1.611 -0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -9.436 -4.053 -1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.130 -2.479 -1.488 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.027 -4.957 -3.119 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.621 -3.965 -5.050 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.582 -0.006 -1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.881 -1.396 -5.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.490 1.667 -3.417 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -6.159 0.979 -5.369 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.048 -2.804 1.805 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.020 -2.421 2.820 1.00 0.00 C ATOM 1236 C GLU A 103 -10.417 -1.416 3.799 1.00 0.00 C ATOM 1237 O GLU A 103 -11.077 -0.463 4.213 1.00 0.00 O ATOM 1238 CB GLU A 103 -11.525 -3.653 3.573 1.00 0.00 C ATOM 1239 CG GLU A 103 -12.417 -4.571 2.750 1.00 0.00 C ATOM 1240 CD GLU A 103 -12.774 -5.816 3.514 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -12.286 -5.980 4.606 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -13.622 -6.547 3.056 1.00 0.00 O ATOM 0 H GLU A 103 -9.754 -3.780 1.850 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.864 -1.948 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.667 -4.223 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.077 -3.325 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.327 -4.041 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.908 -4.843 1.825 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.158 -1.636 4.162 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.426 -0.689 4.995 1.00 0.00 C ATOM 1251 C PHE A 104 -8.221 0.634 4.263 1.00 0.00 C ATOM 1252 O PHE A 104 -8.433 1.708 4.827 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.078 -1.276 5.415 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.263 -0.361 6.286 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.544 -0.236 7.638 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.216 0.376 5.754 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.795 0.604 8.440 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.467 1.217 6.553 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.757 1.331 7.898 1.00 0.00 C ATOM 0 H PHE A 104 -8.623 -2.462 3.892 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.018 -0.497 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.250 -2.212 5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.503 -1.519 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.357 -0.801 8.069 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.984 0.291 4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.023 0.691 9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.654 1.786 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.172 1.988 8.524 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.806 0.549 3.003 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.630 1.735 2.175 1.00 0.00 C ATOM 1271 C ILE A 105 -8.921 2.540 2.086 1.00 0.00 C ATOM 1272 O ILE A 105 -8.908 3.768 2.164 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.165 1.368 0.754 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.742 0.801 0.789 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.235 2.582 -0.159 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.311 0.157 -0.509 1.00 0.00 C ATOM 0 H ILE A 105 -7.586 -0.329 2.534 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.860 2.341 2.653 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.832 0.602 0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.047 1.604 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.674 0.065 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.903 2.305 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.262 2.944 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.590 3.369 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.294 -0.221 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.982 -0.668 -0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.346 0.895 -1.310 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.039 1.839 1.923 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.344 2.485 1.859 1.00 0.00 C ATOM 1290 C LYS A 106 -11.694 3.140 3.193 1.00 0.00 C ATOM 1291 O LYS A 106 -12.271 4.226 3.227 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.424 1.475 1.467 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.405 1.072 0.000 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.341 -0.099 -0.265 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.797 0.302 -0.079 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.726 -0.820 -0.382 1.00 0.00 N ATOM 0 H LYS A 106 -10.067 0.823 1.833 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.298 3.263 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.307 0.580 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.401 1.896 1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.699 1.922 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.390 0.802 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.190 -0.465 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.099 -0.920 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.953 0.635 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.026 1.148 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.707 -0.505 -0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.596 -1.122 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.525 -1.618 0.254 1.00 0.00 H new ATOM 1310 N ASN A 107 -11.340 2.473 4.286 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.599 3.000 5.620 1.00 0.00 C ATOM 1312 C ASN A 107 -10.890 4.337 5.823 1.00 0.00 C ATOM 1313 O ASN A 107 -11.418 5.238 6.474 1.00 0.00 O ATOM 1314 CB ASN A 107 -11.185 2.016 6.698 1.00 0.00 C ATOM 1315 CG ASN A 107 -12.113 0.841 6.833 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -13.271 0.887 6.404 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -11.638 -0.181 7.500 1.00 0.00 N ATOM 0 H ASN A 107 -10.873 1.566 4.274 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.674 3.158 5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.181 1.652 6.479 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.133 2.538 7.653 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.232 -0.989 7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.674 -0.169 7.833 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.692 4.456 5.261 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.916 5.687 5.371 1.00 0.00 C ATOM 1326 C ARG A 108 -9.452 6.754 4.421 1.00 0.00 C ATOM 1327 O ARG A 108 -9.431 7.946 4.734 1.00 0.00 O ATOM 1328 CB ARG A 108 -7.428 5.449 5.164 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.756 4.619 6.246 1.00 0.00 C ATOM 1330 CD ARG A 108 -6.737 5.259 7.586 1.00 0.00 C ATOM 1331 NE ARG A 108 -6.027 4.503 8.605 1.00 0.00 N ATOM 1332 CZ ARG A 108 -5.984 4.833 9.911 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -6.573 5.921 10.355 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -5.311 4.045 10.731 1.00 0.00 N ATOM 0 H ARG A 108 -9.237 3.717 4.725 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.032 6.055 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.284 4.953 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.926 6.414 5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.268 3.660 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.730 4.410 5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.279 6.244 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.764 5.413 7.916 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.526 3.664 8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.073 6.531 9.708 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.530 6.155 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.843 3.214 10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.260 4.268 11.725 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.932 6.320 3.261 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.599 7.218 2.325 1.00 0.00 C ATOM 1350 C LEU A 109 -11.906 7.743 2.912 1.00 0.00 C ATOM 1351 O LEU A 109 -12.299 8.882 2.660 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.859 6.501 0.994 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.612 6.240 0.140 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.963 5.332 -1.031 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -9.048 7.563 -0.355 1.00 0.00 C ATOM 0 H LEU A 109 -9.872 5.352 2.946 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.944 8.070 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.344 5.547 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.562 7.095 0.410 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.855 5.741 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.072 5.152 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.344 4.383 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.725 5.810 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.162 7.377 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.798 8.076 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.779 8.186 0.498 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.574 6.906 3.696 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.775 7.319 4.413 1.00 0.00 C ATOM 1369 C LYS A 110 -13.445 8.374 5.465 1.00 0.00 C ATOM 1370 O LYS A 110 -14.266 9.238 5.768 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.454 6.115 5.067 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.156 5.181 4.091 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.696 3.946 4.797 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.453 3.044 3.833 1.00 0.00 C ATOM 1375 NZ LYS A 110 -16.997 1.836 4.513 1.00 0.00 N ATOM 0 H LYS A 110 -12.304 5.935 3.852 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.463 7.757 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.705 5.547 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.182 6.475 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.974 5.710 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.460 4.880 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.872 3.392 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.356 4.249 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.270 3.604 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.789 2.737 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.505 1.248 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.215 1.288 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.651 2.127 5.267 1.00 0.00 H new ATOM 1389 N GLU A 111 -12.237 8.297 6.015 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.750 9.319 6.932 1.00 0.00 C ATOM 1391 C GLU A 111 -11.346 10.581 6.176 1.00 0.00 C ATOM 1392 O GLU A 111 -11.048 11.613 6.779 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.567 8.790 7.746 1.00 0.00 C ATOM 1394 CG GLU A 111 -10.929 7.708 8.752 1.00 0.00 C ATOM 1395 CD GLU A 111 -9.706 7.165 9.435 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.626 7.592 9.106 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -9.855 6.404 10.363 1.00 0.00 O ATOM 0 H GLU A 111 -11.579 7.538 5.841 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.561 9.572 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.818 8.395 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.106 9.623 8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.613 8.115 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.454 6.899 8.245 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.341 10.494 4.850 1.00 0.00 N ATOM 1405 CA LEU A 112 -11.009 11.637 4.008 1.00 0.00 C ATOM 1406 C LEU A 112 -12.254 12.181 3.313 1.00 0.00 C ATOM 1407 O LEU A 112 -12.157 12.894 2.315 1.00 0.00 O ATOM 1408 CB LEU A 112 -9.945 11.248 2.974 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.606 10.783 3.560 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -7.688 10.300 2.446 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -7.964 11.927 4.330 1.00 0.00 C ATOM 0 H LEU A 112 -11.564 9.642 4.335 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.605 12.424 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.345 10.452 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.762 12.104 2.325 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.777 9.952 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.740 9.972 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.158 9.467 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.508 11.114 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.012 11.596 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.793 12.768 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.626 12.238 5.139 1.00 0.00 H new ATOM 1423 N ASN A 113 -13.422 11.838 3.847 1.00 0.00 N ATOM 1424 CA ASN A 113 -14.685 12.277 3.267 1.00 0.00 C ATOM 1425 C ASN A 113 -15.013 13.706 3.693 1.00 0.00 C ATOM 1426 O ASN A 113 -15.938 13.937 4.473 1.00 0.00 O ATOM 1427 CB ASN A 113 -15.822 11.345 3.639 1.00 0.00 C ATOM 1428 CG ASN A 113 -17.114 11.653 2.933 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -17.131 12.304 1.883 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -18.201 11.260 3.548 1.00 0.00 N ATOM 0 H ASN A 113 -13.519 11.258 4.680 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.570 12.253 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.529 10.320 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.985 11.397 4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -19.117 11.490 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.132 10.724 4.413 1.00 0.00 H new ATOM 1437 N LEU A 114 -14.248 14.661 3.174 1.00 0.00 N ATOM 1438 CA LEU A 114 -14.455 16.067 3.502 1.00 0.00 C ATOM 1439 C LEU A 114 -14.307 16.305 5.002 1.00 0.00 C ATOM 1440 O LEU A 114 -15.226 16.039 5.776 1.00 0.00 O ATOM 1441 CB LEU A 114 -15.836 16.528 3.019 1.00 0.00 C ATOM 1442 CG LEU A 114 -16.190 17.984 3.348 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -15.269 18.930 2.589 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -17.646 18.246 2.990 1.00 0.00 C ATOM 1445 OXT LEU A 114 -13.285 16.756 5.439 1.00 0.00 O ATOM 0 H LEU A 114 -13.480 14.487 2.525 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.691 16.653 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -15.889 16.393 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -16.593 15.878 3.459 1.00 0.00 H new ATOM 0 HG LEU A 114 -16.054 18.159 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -15.528 19.961 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -14.235 18.740 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -15.384 18.767 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -17.898 19.280 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -17.797 18.068 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -18.288 17.578 3.564 1.00 0.00 H new TER 1457 LEU A 114