USER MOD reduce.3.24.130724 H: found=0, std=0, add=1178, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1226 hydrogens (52 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 80 GLN : amide:sc= 0.856 K(o=2,f=1.2) USER MOD Set 1.2: A 174 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 178 THR OG1 : rot -171:sc= 1.15 USER MOD Set 2.1: A 97 CYS SG : rot -158:sc= 0.118 USER MOD Set 2.2: A 99 CYS SG : rot -83:sc= 0.502 USER MOD Set 2.3: A 145 CYS SG : rot -150:sc= -2.36 USER MOD Set 3.1: A 95 THR OG1 : rot 78:sc= -0.181 USER MOD Set 3.2: A 149 HIS :FLIP no HE2:sc= -0.245 F(o=-2.9,f=-0.43) USER MOD Set 4.1: A 47 CYS SG : rot -51:sc= 0.39 USER MOD Set 4.2: A 52 CYS SG : rot 180:sc= 0.352 USER MOD Set 5.1: A 38 THR OG1 : rot -18:sc= 0.919 USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 37 SER OG : rot -70:sc= 1.17 USER MOD Set 6.2: A 42 SER OG : rot 180:sc= 1.02 USER MOD Single : A 22 THR OG1 : rot 43:sc= 0.975 USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= 0.111 (180deg=-0.533) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.0957 X(o=0.096,f=-0.021) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 54 THR OG1 : rot 154:sc= 0.182 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -7.43! C(o=-7.4!,f=-13!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 69:sc= 0.683 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.268 F(o=-2.9,f=-0.27) USER MOD Single : A 74 MET CE :methyl 143:sc= -0.488 (180deg=-2.08!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 130:sc= -2.49 USER MOD Single : A 77 ASN : amide:sc= -0.89 K(o=-0.89,f=-13!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 10:sc= 0.822 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -99:sc= 0.127 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 130:sc= -1.05 USER MOD Single : A 110 HIS : no HD1:sc= -0.73 X(o=-0.73,f=-0.68) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot -127:sc= -1.73 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 159 CYS SG : rot 27:sc= -1.96 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ -116:sc=-0.00469 (180deg=-0.291) USER MOD Single : A 175 MET CE :methyl 151:sc= -0.775 (180deg=-2.74!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl -141:sc= -1.88 (180deg=-3.81!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 121.344 23.132 -15.441 1.00 0.00 N ATOM 2 CA THR A 22 121.181 23.405 -13.984 1.00 0.00 C ATOM 3 C THR A 22 120.158 22.441 -13.377 1.00 0.00 C ATOM 4 O THR A 22 118.971 22.705 -13.374 1.00 0.00 O ATOM 5 CB THR A 22 120.674 24.846 -13.904 1.00 0.00 C ATOM 6 OG1 THR A 22 119.463 24.960 -14.638 1.00 0.00 O ATOM 7 CG2 THR A 22 121.722 25.791 -14.493 1.00 0.00 C ATOM 0 HA THR A 22 122.111 23.270 -13.432 1.00 0.00 H new ATOM 0 HB THR A 22 120.495 25.112 -12.862 1.00 0.00 H new ATOM 0 HG1 THR A 22 118.891 24.188 -14.447 1.00 0.00 H new ATOM 0 HG21 THR A 22 121.360 26.817 -14.435 1.00 0.00 H new ATOM 0 HG22 THR A 22 122.650 25.702 -13.929 1.00 0.00 H new ATOM 0 HG23 THR A 22 121.904 25.528 -15.535 1.00 0.00 H new ATOM 15 N GLY A 23 120.613 21.325 -12.864 1.00 0.00 N ATOM 16 CA GLY A 23 119.674 20.337 -12.255 1.00 0.00 C ATOM 17 C GLY A 23 119.068 20.926 -10.981 1.00 0.00 C ATOM 18 O GLY A 23 119.489 21.965 -10.507 1.00 0.00 O ATOM 0 H GLY A 23 121.597 21.056 -12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 23 118.884 20.086 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 23 120.202 19.412 -12.025 1.00 0.00 H new ATOM 22 N ARG A 24 118.080 20.270 -10.426 1.00 0.00 N ATOM 23 CA ARG A 24 117.438 20.786 -9.181 1.00 0.00 C ATOM 24 C ARG A 24 118.178 20.263 -7.947 1.00 0.00 C ATOM 25 O ARG A 24 118.442 19.081 -7.827 1.00 0.00 O ATOM 26 CB ARG A 24 116.010 20.240 -9.217 1.00 0.00 C ATOM 27 CG ARG A 24 115.274 20.806 -10.433 1.00 0.00 C ATOM 28 CD ARG A 24 113.846 20.256 -10.465 1.00 0.00 C ATOM 29 NE ARG A 24 113.301 20.665 -11.796 1.00 0.00 N ATOM 30 CZ ARG A 24 112.278 20.036 -12.339 1.00 0.00 C ATOM 31 NH1 ARG A 24 111.571 19.162 -11.659 1.00 0.00 N ATOM 32 NH2 ARG A 24 111.958 20.288 -13.579 1.00 0.00 N ATOM 0 H ARG A 24 117.690 19.398 -10.783 1.00 0.00 H new ATOM 0 HA ARG A 24 117.459 21.874 -9.127 1.00 0.00 H new ATOM 0 HB2 ARG A 24 116.027 19.151 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 24 115.483 20.511 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 24 115.255 21.895 -10.386 1.00 0.00 H new ATOM 0 HG3 ARG A 24 115.800 20.536 -11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 24 113.838 19.172 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 24 113.247 20.665 -9.651 1.00 0.00 H new ATOM 0 HE ARG A 24 113.729 21.446 -12.293 1.00 0.00 H new ATOM 0 HH11 ARG A 24 111.810 18.957 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 24 110.784 18.688 -12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 24 112.498 20.966 -14.117 1.00 0.00 H new ATOM 0 HH22 ARG A 24 111.168 19.807 -14.010 1.00 0.00 H new ATOM 46 N ASP A 25 118.510 21.135 -7.029 1.00 0.00 N ATOM 47 CA ASP A 25 119.231 20.696 -5.796 1.00 0.00 C ATOM 48 C ASP A 25 118.466 21.117 -4.530 1.00 0.00 C ATOM 49 O ASP A 25 119.004 21.085 -3.440 1.00 0.00 O ATOM 50 CB ASP A 25 120.596 21.392 -5.864 1.00 0.00 C ATOM 51 CG ASP A 25 120.409 22.912 -5.891 1.00 0.00 C ATOM 52 OD1 ASP A 25 120.909 23.567 -4.990 1.00 0.00 O ATOM 53 OD2 ASP A 25 119.768 23.395 -6.810 1.00 0.00 O ATOM 0 H ASP A 25 118.312 22.134 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 25 119.327 19.611 -5.747 1.00 0.00 H new ATOM 0 HB2 ASP A 25 121.202 21.107 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 25 121.135 21.068 -6.754 1.00 0.00 H new ATOM 58 N LYS A 26 117.220 21.508 -4.666 1.00 0.00 N ATOM 59 CA LYS A 26 116.429 21.926 -3.470 1.00 0.00 C ATOM 60 C LYS A 26 115.143 21.102 -3.376 1.00 0.00 C ATOM 61 O LYS A 26 114.493 20.840 -4.370 1.00 0.00 O ATOM 62 CB LYS A 26 116.103 23.401 -3.705 1.00 0.00 C ATOM 63 CG LYS A 26 117.387 24.228 -3.614 1.00 0.00 C ATOM 64 CD LYS A 26 117.061 25.704 -3.848 1.00 0.00 C ATOM 65 CE LYS A 26 118.344 26.532 -3.757 1.00 0.00 C ATOM 66 NZ LYS A 26 119.102 26.210 -4.998 1.00 0.00 N ATOM 0 H LYS A 26 116.720 21.555 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 26 116.975 21.773 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 26 115.643 23.531 -4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 26 115.381 23.747 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 26 117.848 24.097 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 26 118.108 23.882 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 26 116.600 25.835 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 26 116.340 26.050 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 26 118.122 27.597 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 26 118.917 26.274 -2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 119.777 26.975 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 119.619 25.317 -4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 118.440 26.113 -5.794 1.00 0.00 H new ATOM 80 N ASN A 27 114.775 20.692 -2.189 1.00 0.00 N ATOM 81 CA ASN A 27 113.532 19.882 -2.024 1.00 0.00 C ATOM 82 C ASN A 27 112.560 20.586 -1.073 1.00 0.00 C ATOM 83 O ASN A 27 112.822 20.724 0.107 1.00 0.00 O ATOM 84 CB ASN A 27 114.002 18.555 -1.429 1.00 0.00 C ATOM 85 CG ASN A 27 114.787 17.774 -2.484 1.00 0.00 C ATOM 86 OD1 ASN A 27 114.258 17.436 -3.525 1.00 0.00 O ATOM 87 ND2 ASN A 27 116.038 17.475 -2.261 1.00 0.00 N ATOM 0 H ASN A 27 115.283 20.884 -1.326 1.00 0.00 H new ATOM 0 HA ASN A 27 113.003 19.742 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 27 114.628 18.737 -0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 27 113.145 17.972 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 27 116.571 16.958 -2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 27 116.482 17.758 -1.388 1.00 0.00 H new ATOM 94 N GLN A 28 111.437 21.024 -1.582 1.00 0.00 N ATOM 95 CA GLN A 28 110.433 21.715 -0.715 1.00 0.00 C ATOM 96 C GLN A 28 109.894 20.744 0.336 1.00 0.00 C ATOM 97 O GLN A 28 109.693 21.101 1.481 1.00 0.00 O ATOM 98 CB GLN A 28 109.315 22.156 -1.663 1.00 0.00 C ATOM 99 CG GLN A 28 109.824 23.284 -2.561 1.00 0.00 C ATOM 100 CD GLN A 28 108.724 23.691 -3.544 1.00 0.00 C ATOM 101 OE1 GLN A 28 108.384 22.940 -4.436 1.00 0.00 O ATOM 102 NE2 GLN A 28 108.151 24.856 -3.416 1.00 0.00 N ATOM 0 H GLN A 28 111.171 20.933 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 28 110.864 22.561 -0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 28 108.985 21.313 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN A 28 108.451 22.494 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 28 110.119 24.140 -1.955 1.00 0.00 H new ATOM 0 HG3 GLN A 28 110.710 22.958 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 28 108.438 25.486 -2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 28 107.416 25.137 -4.065 1.00 0.00 H new ATOM 111 N VAL A 29 109.664 19.518 -0.052 1.00 0.00 N ATOM 112 CA VAL A 29 109.138 18.505 0.909 1.00 0.00 C ATOM 113 C VAL A 29 110.048 17.273 0.928 1.00 0.00 C ATOM 114 O VAL A 29 110.772 17.012 -0.015 1.00 0.00 O ATOM 115 CB VAL A 29 107.743 18.139 0.386 1.00 0.00 C ATOM 116 CG1 VAL A 29 106.851 19.381 0.406 1.00 0.00 C ATOM 117 CG2 VAL A 29 107.840 17.612 -1.053 1.00 0.00 C ATOM 0 H VAL A 29 109.819 19.173 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 29 109.099 18.887 1.929 1.00 0.00 H new ATOM 0 HB VAL A 29 107.317 17.365 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 105.859 19.123 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 29 106.770 19.755 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 29 107.287 20.152 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 29 106.844 17.355 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 29 108.271 18.381 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 108.473 16.725 -1.074 1.00 0.00 H new ATOM 127 N GLU A 30 110.016 16.519 1.997 1.00 0.00 N ATOM 128 CA GLU A 30 110.877 15.302 2.087 1.00 0.00 C ATOM 129 C GLU A 30 110.007 14.056 2.273 1.00 0.00 C ATOM 130 O GLU A 30 109.038 14.070 3.009 1.00 0.00 O ATOM 131 CB GLU A 30 111.760 15.534 3.312 1.00 0.00 C ATOM 132 CG GLU A 30 112.755 16.661 3.018 1.00 0.00 C ATOM 133 CD GLU A 30 113.588 16.980 4.269 1.00 0.00 C ATOM 134 OE1 GLU A 30 114.291 17.977 4.244 1.00 0.00 O ATOM 135 OE2 GLU A 30 113.516 16.226 5.228 1.00 0.00 O ATOM 0 H GLU A 30 109.429 16.694 2.813 1.00 0.00 H new ATOM 0 HA GLU A 30 111.469 15.142 1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 30 111.144 15.793 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 30 112.295 14.619 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 30 113.413 16.369 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 30 112.219 17.553 2.693 1.00 0.00 H new ATOM 142 N GLY A 31 110.350 12.979 1.613 1.00 0.00 N ATOM 143 CA GLY A 31 109.550 11.726 1.745 1.00 0.00 C ATOM 144 C GLY A 31 110.019 10.707 0.706 1.00 0.00 C ATOM 145 O GLY A 31 109.221 10.023 0.092 1.00 0.00 O ATOM 0 H GLY A 31 111.152 12.914 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 31 109.662 11.315 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 31 108.491 11.942 1.605 1.00 0.00 H new ATOM 149 N GLU A 32 111.308 10.601 0.507 1.00 0.00 N ATOM 150 CA GLU A 32 111.841 9.623 -0.494 1.00 0.00 C ATOM 151 C GLU A 32 111.638 8.191 0.005 1.00 0.00 C ATOM 152 O GLU A 32 111.495 7.269 -0.776 1.00 0.00 O ATOM 153 CB GLU A 32 113.331 9.943 -0.619 1.00 0.00 C ATOM 154 CG GLU A 32 113.510 11.290 -1.328 1.00 0.00 C ATOM 155 CD GLU A 32 114.987 11.714 -1.312 1.00 0.00 C ATOM 156 OE1 GLU A 32 115.279 12.772 -1.846 1.00 0.00 O ATOM 157 OE2 GLU A 32 115.801 10.981 -0.768 1.00 0.00 O ATOM 0 H GLU A 32 112.017 11.149 0.994 1.00 0.00 H new ATOM 0 HA GLU A 32 111.330 9.700 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.790 9.977 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 32 113.837 9.156 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 32 113.158 11.216 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 32 112.902 12.050 -0.837 1.00 0.00 H new ATOM 164 N VAL A 33 111.627 8.000 1.300 1.00 0.00 N ATOM 165 CA VAL A 33 111.437 6.627 1.858 1.00 0.00 C ATOM 166 C VAL A 33 110.288 6.627 2.877 1.00 0.00 C ATOM 167 O VAL A 33 110.141 7.549 3.658 1.00 0.00 O ATOM 168 CB VAL A 33 112.774 6.281 2.529 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.089 7.298 3.630 1.00 0.00 C ATOM 170 CG2 VAL A 33 112.694 4.880 3.140 1.00 0.00 C ATOM 0 H VAL A 33 111.742 8.737 1.996 1.00 0.00 H new ATOM 0 HA VAL A 33 111.174 5.897 1.093 1.00 0.00 H new ATOM 0 HB VAL A 33 113.564 6.310 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.039 7.043 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.155 8.296 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.298 7.280 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.644 4.636 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 33 111.898 4.852 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.483 4.153 2.356 1.00 0.00 H new ATOM 180 N GLN A 34 109.477 5.600 2.868 1.00 0.00 N ATOM 181 CA GLN A 34 108.333 5.531 3.826 1.00 0.00 C ATOM 182 C GLN A 34 108.659 4.570 4.972 1.00 0.00 C ATOM 183 O GLN A 34 109.270 3.537 4.771 1.00 0.00 O ATOM 184 CB GLN A 34 107.156 5.002 3.005 1.00 0.00 C ATOM 185 CG GLN A 34 106.818 5.996 1.892 1.00 0.00 C ATOM 186 CD GLN A 34 105.641 5.463 1.073 1.00 0.00 C ATOM 187 OE1 GLN A 34 104.580 6.056 1.056 1.00 0.00 O ATOM 188 NE2 GLN A 34 105.783 4.360 0.389 1.00 0.00 N ATOM 0 H GLN A 34 109.558 4.804 2.236 1.00 0.00 H new ATOM 0 HA GLN A 34 108.114 6.500 4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.406 4.032 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.289 4.852 3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.567 6.966 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.685 6.146 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.673 3.862 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 105.004 3.996 -0.159 1.00 0.00 H new ATOM 197 N VAL A 35 108.255 4.905 6.170 1.00 0.00 N ATOM 198 CA VAL A 35 108.539 4.015 7.338 1.00 0.00 C ATOM 199 C VAL A 35 107.435 2.958 7.486 1.00 0.00 C ATOM 200 O VAL A 35 106.288 3.276 7.735 1.00 0.00 O ATOM 201 CB VAL A 35 108.576 4.945 8.560 1.00 0.00 C ATOM 202 CG1 VAL A 35 109.688 5.988 8.380 1.00 0.00 C ATOM 203 CG2 VAL A 35 107.219 5.656 8.730 1.00 0.00 C ATOM 0 H VAL A 35 107.740 5.757 6.391 1.00 0.00 H new ATOM 0 HA VAL A 35 109.477 3.472 7.220 1.00 0.00 H new ATOM 0 HB VAL A 35 108.776 4.350 9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 35 109.713 6.647 9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 35 110.649 5.482 8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.493 6.576 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 35 107.258 6.312 9.600 1.00 0.00 H new ATOM 0 HG22 VAL A 35 107.003 6.246 7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 35 106.434 4.913 8.871 1.00 0.00 H new ATOM 213 N VAL A 36 107.779 1.703 7.333 1.00 0.00 N ATOM 214 CA VAL A 36 106.757 0.618 7.464 1.00 0.00 C ATOM 215 C VAL A 36 107.346 -0.566 8.242 1.00 0.00 C ATOM 216 O VAL A 36 108.469 -0.968 8.012 1.00 0.00 O ATOM 217 CB VAL A 36 106.414 0.219 6.023 1.00 0.00 C ATOM 218 CG1 VAL A 36 107.672 -0.274 5.299 1.00 0.00 C ATOM 219 CG2 VAL A 36 105.365 -0.897 6.035 1.00 0.00 C ATOM 0 H VAL A 36 108.724 1.383 7.123 1.00 0.00 H new ATOM 0 HA VAL A 36 105.871 0.940 8.010 1.00 0.00 H new ATOM 0 HB VAL A 36 106.018 1.089 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 36 107.417 -0.555 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 36 108.417 0.521 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 36 108.077 -1.140 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 36 105.122 -1.179 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 36 105.761 -1.763 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 36 104.464 -0.544 6.537 1.00 0.00 H new ATOM 229 N SER A 37 106.598 -1.120 9.162 1.00 0.00 N ATOM 230 CA SER A 37 107.119 -2.274 9.956 1.00 0.00 C ATOM 231 C SER A 37 106.094 -3.408 10.000 1.00 0.00 C ATOM 232 O SER A 37 104.902 -3.178 10.082 1.00 0.00 O ATOM 233 CB SER A 37 107.351 -1.714 11.356 1.00 0.00 C ATOM 234 OG SER A 37 108.386 -0.741 11.309 1.00 0.00 O ATOM 0 H SER A 37 105.651 -0.824 9.398 1.00 0.00 H new ATOM 0 HA SER A 37 108.027 -2.691 9.521 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.433 -1.267 11.738 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.623 -2.517 12.041 1.00 0.00 H new ATOM 0 HG SER A 37 109.244 -1.184 11.142 1.00 0.00 H new ATOM 240 N THR A 38 106.556 -4.633 9.959 1.00 0.00 N ATOM 241 CA THR A 38 105.619 -5.793 10.012 1.00 0.00 C ATOM 242 C THR A 38 105.518 -6.309 11.445 1.00 0.00 C ATOM 243 O THR A 38 106.139 -5.781 12.349 1.00 0.00 O ATOM 244 CB THR A 38 106.227 -6.854 9.096 1.00 0.00 C ATOM 245 OG1 THR A 38 107.539 -7.172 9.538 1.00 0.00 O ATOM 246 CG2 THR A 38 106.281 -6.321 7.666 1.00 0.00 C ATOM 0 H THR A 38 107.544 -4.878 9.891 1.00 0.00 H new ATOM 0 HA THR A 38 104.612 -5.525 9.693 1.00 0.00 H new ATOM 0 HB THR A 38 105.612 -7.753 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 38 107.864 -6.464 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.715 -7.077 7.012 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.272 -6.084 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 38 106.895 -5.421 7.636 1.00 0.00 H new ATOM 254 N ALA A 39 104.732 -7.329 11.658 1.00 0.00 N ATOM 255 CA ALA A 39 104.575 -7.877 13.037 1.00 0.00 C ATOM 256 C ALA A 39 105.823 -8.659 13.472 1.00 0.00 C ATOM 257 O ALA A 39 105.984 -8.967 14.639 1.00 0.00 O ATOM 258 CB ALA A 39 103.361 -8.806 12.963 1.00 0.00 C ATOM 0 H ALA A 39 104.191 -7.807 10.937 1.00 0.00 H new ATOM 0 HA ALA A 39 104.442 -7.081 13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.181 -9.249 13.943 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.484 -8.235 12.656 1.00 0.00 H new ATOM 0 HB3 ALA A 39 103.551 -9.596 12.237 1.00 0.00 H new ATOM 264 N THR A 40 106.700 -8.996 12.553 1.00 0.00 N ATOM 265 CA THR A 40 107.922 -9.771 12.936 1.00 0.00 C ATOM 266 C THR A 40 109.204 -8.994 12.609 1.00 0.00 C ATOM 267 O THR A 40 110.235 -9.214 13.218 1.00 0.00 O ATOM 268 CB THR A 40 107.851 -11.053 12.106 1.00 0.00 C ATOM 269 OG1 THR A 40 107.808 -10.719 10.726 1.00 0.00 O ATOM 270 CG2 THR A 40 106.593 -11.840 12.482 1.00 0.00 C ATOM 0 H THR A 40 106.622 -8.769 11.562 1.00 0.00 H new ATOM 0 HA THR A 40 107.951 -9.968 14.008 1.00 0.00 H new ATOM 0 HB THR A 40 108.731 -11.664 12.306 1.00 0.00 H new ATOM 0 HG1 THR A 40 107.764 -11.540 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 40 106.544 -12.753 11.889 1.00 0.00 H new ATOM 0 HG22 THR A 40 106.627 -12.096 13.541 1.00 0.00 H new ATOM 0 HG23 THR A 40 105.711 -11.232 12.284 1.00 0.00 H new ATOM 278 N GLN A 41 109.157 -8.099 11.652 1.00 0.00 N ATOM 279 CA GLN A 41 110.387 -7.326 11.291 1.00 0.00 C ATOM 280 C GLN A 41 110.042 -5.871 10.959 1.00 0.00 C ATOM 281 O GLN A 41 108.890 -5.518 10.795 1.00 0.00 O ATOM 282 CB GLN A 41 110.954 -8.034 10.060 1.00 0.00 C ATOM 283 CG GLN A 41 111.466 -9.419 10.457 1.00 0.00 C ATOM 284 CD GLN A 41 112.099 -10.098 9.241 1.00 0.00 C ATOM 285 OE1 GLN A 41 113.303 -10.072 9.074 1.00 0.00 O ATOM 286 NE2 GLN A 41 111.334 -10.708 8.377 1.00 0.00 N ATOM 0 H GLN A 41 108.325 -7.871 11.108 1.00 0.00 H new ATOM 0 HA GLN A 41 111.100 -7.295 12.115 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.184 -8.125 9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.764 -7.445 9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.198 -9.331 11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.645 -10.026 10.839 1.00 0.00 H new ATOM 0 HE21 GLN A 41 110.324 -10.730 8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 41 111.746 -11.163 7.562 1.00 0.00 H new ATOM 295 N SER A 42 111.038 -5.028 10.859 1.00 0.00 N ATOM 296 CA SER A 42 110.787 -3.593 10.534 1.00 0.00 C ATOM 297 C SER A 42 111.830 -3.083 9.535 1.00 0.00 C ATOM 298 O SER A 42 113.015 -3.077 9.808 1.00 0.00 O ATOM 299 CB SER A 42 110.917 -2.857 11.867 1.00 0.00 C ATOM 300 OG SER A 42 110.741 -1.462 11.653 1.00 0.00 O ATOM 0 H SER A 42 112.019 -5.274 10.989 1.00 0.00 H new ATOM 0 HA SER A 42 109.810 -3.439 10.076 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.172 -3.225 12.573 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.896 -3.048 12.307 1.00 0.00 H new ATOM 0 HG SER A 42 110.822 -0.987 12.506 1.00 0.00 H new ATOM 306 N PHE A 43 111.392 -2.656 8.378 1.00 0.00 N ATOM 307 CA PHE A 43 112.345 -2.142 7.343 1.00 0.00 C ATOM 308 C PHE A 43 111.747 -0.919 6.642 1.00 0.00 C ATOM 309 O PHE A 43 110.622 -0.538 6.904 1.00 0.00 O ATOM 310 CB PHE A 43 112.546 -3.297 6.349 1.00 0.00 C ATOM 311 CG PHE A 43 111.208 -3.802 5.852 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.510 -4.761 6.594 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.670 -3.317 4.654 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.276 -5.235 6.143 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.433 -3.792 4.201 1.00 0.00 C ATOM 316 CZ PHE A 43 108.736 -4.752 4.946 1.00 0.00 C ATOM 0 H PHE A 43 110.410 -2.641 8.103 1.00 0.00 H new ATOM 0 HA PHE A 43 113.293 -1.829 7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.151 -2.960 5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.093 -4.108 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.926 -5.136 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.208 -2.577 4.080 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.739 -5.974 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.016 -3.418 3.277 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.782 -5.119 4.597 1.00 0.00 H new ATOM 326 N LEU A 44 112.489 -0.293 5.762 1.00 0.00 N ATOM 327 CA LEU A 44 111.957 0.914 5.056 1.00 0.00 C ATOM 328 C LEU A 44 111.826 0.644 3.554 1.00 0.00 C ATOM 329 O LEU A 44 112.538 -0.167 2.994 1.00 0.00 O ATOM 330 CB LEU A 44 112.982 2.024 5.316 1.00 0.00 C ATOM 331 CG LEU A 44 113.146 2.255 6.825 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.157 3.377 7.056 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.808 2.666 7.443 1.00 0.00 C ATOM 0 H LEU A 44 113.437 -0.564 5.502 1.00 0.00 H new ATOM 0 HA LEU A 44 110.965 1.188 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 44 113.942 1.752 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.660 2.946 4.833 1.00 0.00 H new ATOM 0 HG LEU A 44 113.492 1.331 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.277 3.544 8.126 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.117 3.096 6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.800 4.292 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.936 2.827 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.459 3.587 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.074 1.877 7.280 1.00 0.00 H new ATOM 345 N ALA A 45 110.915 1.324 2.902 1.00 0.00 N ATOM 346 CA ALA A 45 110.722 1.120 1.436 1.00 0.00 C ATOM 347 C ALA A 45 111.031 2.413 0.676 1.00 0.00 C ATOM 348 O ALA A 45 110.701 3.497 1.119 1.00 0.00 O ATOM 349 CB ALA A 45 109.248 0.745 1.281 1.00 0.00 C ATOM 0 H ALA A 45 110.295 2.014 3.326 1.00 0.00 H new ATOM 0 HA ALA A 45 111.383 0.352 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.024 0.578 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.043 -0.165 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.625 1.555 1.660 1.00 0.00 H new ATOM 355 N THR A 46 111.660 2.303 -0.467 1.00 0.00 N ATOM 356 CA THR A 46 111.997 3.520 -1.266 1.00 0.00 C ATOM 357 C THR A 46 111.276 3.483 -2.617 1.00 0.00 C ATOM 358 O THR A 46 111.119 2.435 -3.216 1.00 0.00 O ATOM 359 CB THR A 46 113.513 3.457 -1.462 1.00 0.00 C ATOM 360 OG1 THR A 46 114.151 3.404 -0.194 1.00 0.00 O ATOM 361 CG2 THR A 46 113.988 4.698 -2.221 1.00 0.00 C ATOM 0 H THR A 46 111.956 1.419 -0.882 1.00 0.00 H new ATOM 0 HA THR A 46 111.689 4.440 -0.769 1.00 0.00 H new ATOM 0 HB THR A 46 113.766 2.566 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 46 115.122 3.362 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.068 4.649 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.500 4.738 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.735 5.592 -1.651 1.00 0.00 H new ATOM 369 N CYS A 47 110.832 4.620 -3.095 1.00 0.00 N ATOM 370 CA CYS A 47 110.114 4.658 -4.403 1.00 0.00 C ATOM 371 C CYS A 47 111.086 4.975 -5.544 1.00 0.00 C ATOM 372 O CYS A 47 111.634 6.058 -5.623 1.00 0.00 O ATOM 373 CB CYS A 47 109.084 5.778 -4.253 1.00 0.00 C ATOM 374 SG CYS A 47 107.794 5.260 -3.093 1.00 0.00 S ATOM 0 H CYS A 47 110.937 5.524 -2.634 1.00 0.00 H new ATOM 0 HA CYS A 47 109.651 3.701 -4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 47 109.568 6.686 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.644 6.014 -5.222 1.00 0.00 H new ATOM 0 HG CYS A 47 107.339 4.093 -3.443 1.00 0.00 H new ATOM 380 N VAL A 48 111.297 4.033 -6.429 1.00 0.00 N ATOM 381 CA VAL A 48 112.227 4.264 -7.574 1.00 0.00 C ATOM 382 C VAL A 48 111.523 3.927 -8.895 1.00 0.00 C ATOM 383 O VAL A 48 110.937 2.872 -9.044 1.00 0.00 O ATOM 384 CB VAL A 48 113.408 3.317 -7.333 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.434 3.472 -8.458 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.072 3.654 -5.994 1.00 0.00 C ATOM 0 H VAL A 48 110.863 3.110 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 48 112.553 5.302 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 48 113.043 2.290 -7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.272 2.797 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.967 3.230 -9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.796 4.500 -8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.911 2.980 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.431 4.683 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.346 3.540 -5.189 1.00 0.00 H new ATOM 396 N ASN A 49 111.580 4.821 -9.853 1.00 0.00 N ATOM 397 CA ASN A 49 110.921 4.576 -11.180 1.00 0.00 C ATOM 398 C ASN A 49 109.439 4.215 -11.005 1.00 0.00 C ATOM 399 O ASN A 49 108.916 3.360 -11.696 1.00 0.00 O ATOM 400 CB ASN A 49 111.689 3.408 -11.810 1.00 0.00 C ATOM 401 CG ASN A 49 113.091 3.875 -12.207 1.00 0.00 C ATOM 402 OD1 ASN A 49 113.300 5.037 -12.493 1.00 0.00 O ATOM 403 ND2 ASN A 49 114.069 3.011 -12.235 1.00 0.00 N ATOM 0 H ASN A 49 112.059 5.718 -9.774 1.00 0.00 H new ATOM 0 HA ASN A 49 110.948 5.467 -11.807 1.00 0.00 H new ATOM 0 HB2 ASN A 49 111.756 2.580 -11.104 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.156 3.038 -12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 49 115.008 3.312 -12.497 1.00 0.00 H new ATOM 0 HD22 ASN A 49 113.894 2.035 -11.995 1.00 0.00 H new ATOM 410 N GLY A 50 108.761 4.868 -10.095 1.00 0.00 N ATOM 411 CA GLY A 50 107.309 4.580 -9.877 1.00 0.00 C ATOM 412 C GLY A 50 107.118 3.164 -9.316 1.00 0.00 C ATOM 413 O GLY A 50 106.031 2.616 -9.366 1.00 0.00 O ATOM 0 H GLY A 50 109.152 5.591 -9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.887 5.311 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.767 4.681 -10.818 1.00 0.00 H new ATOM 417 N VAL A 51 108.156 2.568 -8.782 1.00 0.00 N ATOM 418 CA VAL A 51 108.026 1.191 -8.216 1.00 0.00 C ATOM 419 C VAL A 51 108.617 1.154 -6.803 1.00 0.00 C ATOM 420 O VAL A 51 109.728 1.596 -6.580 1.00 0.00 O ATOM 421 CB VAL A 51 108.827 0.291 -9.164 1.00 0.00 C ATOM 422 CG1 VAL A 51 108.763 -1.159 -8.678 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.231 0.376 -10.574 1.00 0.00 C ATOM 0 H VAL A 51 109.088 2.977 -8.714 1.00 0.00 H new ATOM 0 HA VAL A 51 106.988 0.867 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 51 109.865 0.623 -9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.334 -1.795 -9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.185 -1.226 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 51 107.725 -1.490 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 51 108.800 -0.264 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.192 0.046 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.276 1.406 -10.927 1.00 0.00 H new ATOM 433 N CYS A 52 107.886 0.629 -5.853 1.00 0.00 N ATOM 434 CA CYS A 52 108.408 0.561 -4.455 1.00 0.00 C ATOM 435 C CYS A 52 109.324 -0.654 -4.297 1.00 0.00 C ATOM 436 O CYS A 52 108.880 -1.785 -4.366 1.00 0.00 O ATOM 437 CB CYS A 52 107.167 0.419 -3.572 1.00 0.00 C ATOM 438 SG CYS A 52 106.167 1.922 -3.691 1.00 0.00 S ATOM 0 H CYS A 52 106.950 0.245 -5.985 1.00 0.00 H new ATOM 0 HA CYS A 52 108.995 1.440 -4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.582 -0.446 -3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.462 0.247 -2.537 1.00 0.00 H new ATOM 0 HG CYS A 52 105.111 1.801 -2.942 1.00 0.00 H new ATOM 444 N TRP A 53 110.597 -0.428 -4.090 1.00 0.00 N ATOM 445 CA TRP A 53 111.547 -1.569 -3.932 1.00 0.00 C ATOM 446 C TRP A 53 111.883 -1.787 -2.454 1.00 0.00 C ATOM 447 O TRP A 53 112.113 -0.850 -1.714 1.00 0.00 O ATOM 448 CB TRP A 53 112.798 -1.155 -4.708 1.00 0.00 C ATOM 449 CG TRP A 53 112.578 -1.377 -6.170 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.028 -0.478 -7.019 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.895 -2.553 -6.970 1.00 0.00 C ATOM 452 NE1 TRP A 53 111.986 -1.028 -8.287 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.510 -2.305 -8.308 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.475 -3.799 -6.666 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.692 -3.260 -9.311 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.660 -4.761 -7.673 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.268 -4.491 -8.992 1.00 0.00 C ATOM 0 H TRP A 53 111.019 0.498 -4.024 1.00 0.00 H new ATOM 0 HA TRP A 53 111.126 -2.505 -4.301 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.024 -0.106 -4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.657 -1.733 -4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 53 111.679 0.508 -6.750 1.00 0.00 H new ATOM 0 HE1 TRP A 53 111.613 -0.549 -9.107 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.780 -4.017 -5.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.389 -3.048 -10.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 114.107 -5.714 -7.430 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.412 -5.235 -9.761 1.00 0.00 H new ATOM 468 N THR A 54 111.919 -3.022 -2.028 1.00 0.00 N ATOM 469 CA THR A 54 112.246 -3.328 -0.604 1.00 0.00 C ATOM 470 C THR A 54 113.219 -4.509 -0.539 1.00 0.00 C ATOM 471 O THR A 54 113.609 -5.055 -1.553 1.00 0.00 O ATOM 472 CB THR A 54 110.906 -3.682 0.055 1.00 0.00 C ATOM 473 OG1 THR A 54 111.129 -4.016 1.417 1.00 0.00 O ATOM 474 CG2 THR A 54 110.261 -4.872 -0.663 1.00 0.00 C ATOM 0 H THR A 54 111.734 -3.839 -2.611 1.00 0.00 H new ATOM 0 HA THR A 54 112.726 -2.491 -0.097 1.00 0.00 H new ATOM 0 HB THR A 54 110.237 -2.824 -0.012 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.317 -3.834 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.311 -5.113 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.088 -4.616 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.925 -5.735 -0.606 1.00 0.00 H new ATOM 482 N VAL A 55 113.606 -4.908 0.644 1.00 0.00 N ATOM 483 CA VAL A 55 114.549 -6.058 0.778 1.00 0.00 C ATOM 484 C VAL A 55 113.772 -7.380 0.714 1.00 0.00 C ATOM 485 O VAL A 55 112.673 -7.489 1.224 1.00 0.00 O ATOM 486 CB VAL A 55 115.207 -5.865 2.148 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.157 -7.032 2.447 1.00 0.00 C ATOM 488 CG2 VAL A 55 115.995 -4.551 2.148 1.00 0.00 C ATOM 0 H VAL A 55 113.310 -4.487 1.524 1.00 0.00 H new ATOM 0 HA VAL A 55 115.290 -6.094 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 55 114.434 -5.833 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.619 -6.884 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.596 -7.967 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.932 -7.076 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.465 -4.409 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.763 -4.587 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.318 -3.721 1.948 1.00 0.00 H new ATOM 498 N TYR A 56 114.337 -8.378 0.080 1.00 0.00 N ATOM 499 CA TYR A 56 113.638 -9.695 -0.035 1.00 0.00 C ATOM 500 C TYR A 56 113.881 -10.566 1.212 1.00 0.00 C ATOM 501 O TYR A 56 112.970 -11.210 1.700 1.00 0.00 O ATOM 502 CB TYR A 56 114.239 -10.346 -1.292 1.00 0.00 C ATOM 503 CG TYR A 56 113.749 -11.773 -1.431 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.610 -12.063 -2.192 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.437 -12.803 -0.781 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.164 -13.386 -2.302 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.993 -14.122 -0.892 1.00 0.00 C ATOM 508 CZ TYR A 56 112.855 -14.416 -1.653 1.00 0.00 C ATOM 509 OH TYR A 56 112.415 -15.719 -1.762 1.00 0.00 O ATOM 0 H TYR A 56 115.254 -8.337 -0.364 1.00 0.00 H new ATOM 0 HA TYR A 56 112.557 -9.580 -0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.961 -9.771 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.327 -10.332 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.077 -11.268 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.314 -12.577 -0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.286 -13.612 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.527 -14.916 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 56 113.009 -16.309 -1.252 1.00 0.00 H new ATOM 519 N HIS A 57 115.092 -10.608 1.717 1.00 0.00 N ATOM 520 CA HIS A 57 115.359 -11.464 2.914 1.00 0.00 C ATOM 521 C HIS A 57 114.525 -10.990 4.114 1.00 0.00 C ATOM 522 O HIS A 57 114.282 -11.740 5.041 1.00 0.00 O ATOM 523 CB HIS A 57 116.878 -11.376 3.173 1.00 0.00 C ATOM 524 CG HIS A 57 117.288 -10.033 3.732 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.317 -9.277 3.157 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.869 -9.318 4.834 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.483 -8.171 3.909 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.629 -8.169 4.920 1.00 0.00 N ATOM 0 H HIS A 57 115.896 -10.094 1.357 1.00 0.00 H new ATOM 0 HA HIS A 57 115.068 -12.502 2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.172 -12.162 3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.414 -11.558 2.242 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.846 -9.520 2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.081 -9.607 5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.210 -7.396 3.714 1.00 0.00 H new ATOM 536 N GLY A 58 114.072 -9.759 4.093 1.00 0.00 N ATOM 537 CA GLY A 58 113.241 -9.244 5.218 1.00 0.00 C ATOM 538 C GLY A 58 111.784 -9.656 4.992 1.00 0.00 C ATOM 539 O GLY A 58 111.280 -10.562 5.630 1.00 0.00 O ATOM 0 H GLY A 58 114.244 -9.090 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.602 -9.643 6.166 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.320 -8.159 5.278 1.00 0.00 H new ATOM 543 N ALA A 59 111.108 -8.999 4.081 1.00 0.00 N ATOM 544 CA ALA A 59 109.680 -9.351 3.799 1.00 0.00 C ATOM 545 C ALA A 59 109.589 -10.777 3.246 1.00 0.00 C ATOM 546 O ALA A 59 108.788 -11.575 3.695 1.00 0.00 O ATOM 547 CB ALA A 59 109.215 -8.340 2.750 1.00 0.00 C ATOM 0 H ALA A 59 111.483 -8.234 3.520 1.00 0.00 H new ATOM 0 HA ALA A 59 109.063 -9.315 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.174 -8.536 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.306 -7.331 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 59 109.833 -8.432 1.857 1.00 0.00 H new ATOM 553 N GLY A 60 110.408 -11.100 2.275 1.00 0.00 N ATOM 554 CA GLY A 60 110.378 -12.471 1.688 1.00 0.00 C ATOM 555 C GLY A 60 109.467 -12.488 0.458 1.00 0.00 C ATOM 556 O GLY A 60 108.950 -11.468 0.044 1.00 0.00 O ATOM 0 H GLY A 60 111.097 -10.470 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.386 -12.780 1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.018 -13.186 2.428 1.00 0.00 H new ATOM 560 N SER A 61 109.270 -13.644 -0.126 1.00 0.00 N ATOM 561 CA SER A 61 108.392 -13.742 -1.336 1.00 0.00 C ATOM 562 C SER A 61 106.974 -13.272 -1.001 1.00 0.00 C ATOM 563 O SER A 61 106.331 -12.601 -1.787 1.00 0.00 O ATOM 564 CB SER A 61 108.388 -15.224 -1.714 1.00 0.00 C ATOM 565 OG SER A 61 107.583 -15.411 -2.870 1.00 0.00 O ATOM 0 H SER A 61 109.679 -14.526 0.182 1.00 0.00 H new ATOM 0 HA SER A 61 108.751 -13.116 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 61 109.405 -15.565 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 61 108.002 -15.821 -0.888 1.00 0.00 H new ATOM 0 HG SER A 61 107.579 -16.360 -3.116 1.00 0.00 H new ATOM 571 N LYS A 62 106.485 -13.621 0.163 1.00 0.00 N ATOM 572 CA LYS A 62 105.105 -13.200 0.560 1.00 0.00 C ATOM 573 C LYS A 62 105.006 -11.671 0.579 1.00 0.00 C ATOM 574 O LYS A 62 105.880 -10.992 1.086 1.00 0.00 O ATOM 575 CB LYS A 62 104.908 -13.769 1.970 1.00 0.00 C ATOM 576 CG LYS A 62 103.480 -13.494 2.444 1.00 0.00 C ATOM 577 CD LYS A 62 103.296 -14.067 3.852 1.00 0.00 C ATOM 578 CE LYS A 62 101.871 -13.792 4.339 1.00 0.00 C ATOM 579 NZ LYS A 62 101.992 -12.608 5.235 1.00 0.00 N ATOM 0 H LYS A 62 106.982 -14.180 0.857 1.00 0.00 H new ATOM 0 HA LYS A 62 104.346 -13.560 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 62 105.101 -14.842 1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 62 105.623 -13.317 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 62 103.286 -12.421 2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 102.763 -13.946 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 62 103.488 -15.140 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 62 104.017 -13.618 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 62 101.201 -13.588 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 62 101.463 -14.651 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 101.054 -12.358 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 102.631 -12.834 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 102.376 -11.804 4.698 1.00 0.00 H new ATOM 593 N THR A 63 103.952 -11.127 0.023 1.00 0.00 N ATOM 594 CA THR A 63 103.796 -9.641 0.001 1.00 0.00 C ATOM 595 C THR A 63 102.988 -9.171 1.215 1.00 0.00 C ATOM 596 O THR A 63 102.558 -9.965 2.030 1.00 0.00 O ATOM 597 CB THR A 63 103.052 -9.330 -1.305 1.00 0.00 C ATOM 598 OG1 THR A 63 102.882 -7.924 -1.423 1.00 0.00 O ATOM 599 CG2 THR A 63 101.678 -10.011 -1.315 1.00 0.00 C ATOM 0 H THR A 63 103.193 -11.648 -0.416 1.00 0.00 H new ATOM 0 HA THR A 63 104.756 -9.128 0.047 1.00 0.00 H new ATOM 0 HB THR A 63 103.637 -9.708 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 63 103.754 -7.500 -1.568 1.00 0.00 H new ATOM 0 HG21 THR A 63 101.164 -9.780 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 63 101.806 -11.090 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 63 101.086 -9.648 -0.475 1.00 0.00 H new ATOM 607 N LEU A 64 102.785 -7.885 1.337 1.00 0.00 N ATOM 608 CA LEU A 64 102.009 -7.349 2.494 1.00 0.00 C ATOM 609 C LEU A 64 100.675 -6.772 2.016 1.00 0.00 C ATOM 610 O LEU A 64 100.592 -6.178 0.957 1.00 0.00 O ATOM 611 CB LEU A 64 102.888 -6.252 3.088 1.00 0.00 C ATOM 612 CG LEU A 64 104.209 -6.856 3.565 1.00 0.00 C ATOM 613 CD1 LEU A 64 105.121 -5.739 4.061 1.00 0.00 C ATOM 614 CD2 LEU A 64 103.943 -7.839 4.711 1.00 0.00 C ATOM 0 H LEU A 64 103.125 -7.180 0.682 1.00 0.00 H new ATOM 0 HA LEU A 64 101.774 -8.122 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 103.078 -5.480 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 64 102.374 -5.771 3.921 1.00 0.00 H new ATOM 0 HG LEU A 64 104.686 -7.384 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 64 106.065 -6.164 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 64 105.312 -5.038 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 64 104.639 -5.216 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 64 104.886 -8.268 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 64 103.467 -7.313 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 64 103.287 -8.636 4.362 1.00 0.00 H new ATOM 626 N ALA A 65 99.635 -6.943 2.790 1.00 0.00 N ATOM 627 CA ALA A 65 98.301 -6.406 2.389 1.00 0.00 C ATOM 628 C ALA A 65 97.831 -5.354 3.395 1.00 0.00 C ATOM 629 O ALA A 65 97.853 -5.573 4.592 1.00 0.00 O ATOM 630 CB ALA A 65 97.366 -7.616 2.401 1.00 0.00 C ATOM 0 H ALA A 65 99.652 -7.433 3.685 1.00 0.00 H new ATOM 0 HA ALA A 65 98.327 -5.922 1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 65 96.362 -7.303 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 97.728 -8.362 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 65 97.341 -8.047 3.402 1.00 0.00 H new ATOM 636 N GLY A 66 97.409 -4.211 2.916 1.00 0.00 N ATOM 637 CA GLY A 66 96.937 -3.136 3.835 1.00 0.00 C ATOM 638 C GLY A 66 96.079 -2.133 3.051 1.00 0.00 C ATOM 639 O GLY A 66 95.430 -2.503 2.092 1.00 0.00 O ATOM 0 H GLY A 66 97.372 -3.977 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 66 96.357 -3.568 4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 66 97.789 -2.628 4.286 1.00 0.00 H new ATOM 643 N PRO A 67 96.097 -0.888 3.477 1.00 0.00 N ATOM 644 CA PRO A 67 95.298 0.154 2.783 1.00 0.00 C ATOM 645 C PRO A 67 95.909 0.475 1.415 1.00 0.00 C ATOM 646 O PRO A 67 95.207 0.629 0.434 1.00 0.00 O ATOM 647 CB PRO A 67 95.387 1.359 3.714 1.00 0.00 C ATOM 648 CG PRO A 67 96.650 1.154 4.482 1.00 0.00 C ATOM 649 CD PRO A 67 96.841 -0.331 4.620 1.00 0.00 C ATOM 0 HA PRO A 67 94.270 -0.154 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 67 95.413 2.292 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 67 94.524 1.411 4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 67 97.495 1.605 3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 67 96.588 1.628 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.896 -0.604 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.450 -0.698 5.569 1.00 0.00 H new ATOM 657 N LYS A 68 97.213 0.580 1.349 1.00 0.00 N ATOM 658 CA LYS A 68 97.879 0.895 0.049 1.00 0.00 C ATOM 659 C LYS A 68 98.847 -0.229 -0.350 1.00 0.00 C ATOM 660 O LYS A 68 99.742 -0.030 -1.149 1.00 0.00 O ATOM 661 CB LYS A 68 98.643 2.194 0.311 1.00 0.00 C ATOM 662 CG LYS A 68 99.018 2.850 -1.019 1.00 0.00 C ATOM 663 CD LYS A 68 97.757 3.386 -1.699 1.00 0.00 C ATOM 664 CE LYS A 68 98.149 4.254 -2.895 1.00 0.00 C ATOM 665 NZ LYS A 68 96.861 4.600 -3.558 1.00 0.00 N ATOM 0 H LYS A 68 97.845 0.461 2.141 1.00 0.00 H new ATOM 0 HA LYS A 68 97.164 0.993 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 68 98.030 2.874 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 99.542 1.987 0.892 1.00 0.00 H new ATOM 0 HG2 LYS A 68 99.725 3.662 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 68 99.513 2.126 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 68 97.129 2.558 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 68 97.169 3.970 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 68 98.681 5.150 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 68 98.810 3.715 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 97.048 5.196 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 96.380 3.728 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 96.255 5.118 -2.890 1.00 0.00 H new ATOM 679 N GLY A 69 98.678 -1.407 0.202 1.00 0.00 N ATOM 680 CA GLY A 69 99.589 -2.539 -0.146 1.00 0.00 C ATOM 681 C GLY A 69 98.851 -3.537 -1.056 1.00 0.00 C ATOM 682 O GLY A 69 97.702 -3.848 -0.811 1.00 0.00 O ATOM 0 H GLY A 69 97.948 -1.632 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 69 100.478 -2.161 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 69 99.926 -3.040 0.762 1.00 0.00 H new ATOM 686 N PRO A 70 99.525 -4.015 -2.084 1.00 0.00 N ATOM 687 CA PRO A 70 98.891 -4.980 -3.011 1.00 0.00 C ATOM 688 C PRO A 70 98.942 -6.397 -2.433 1.00 0.00 C ATOM 689 O PRO A 70 99.674 -6.672 -1.502 1.00 0.00 O ATOM 690 CB PRO A 70 99.744 -4.883 -4.270 1.00 0.00 C ATOM 691 CG PRO A 70 101.088 -4.405 -3.811 1.00 0.00 C ATOM 692 CD PRO A 70 100.910 -3.713 -2.481 1.00 0.00 C ATOM 0 HA PRO A 70 97.838 -4.764 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 70 99.821 -5.850 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 70 99.306 -4.190 -4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 70 101.778 -5.243 -3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 70 101.519 -3.720 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 70 101.623 -4.083 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 70 101.071 -2.639 -2.569 1.00 0.00 H new ATOM 700 N ILE A 71 98.168 -7.295 -2.988 1.00 0.00 N ATOM 701 CA ILE A 71 98.163 -8.704 -2.487 1.00 0.00 C ATOM 702 C ILE A 71 98.892 -9.641 -3.467 1.00 0.00 C ATOM 703 O ILE A 71 98.948 -10.838 -3.256 1.00 0.00 O ATOM 704 CB ILE A 71 96.683 -9.087 -2.371 1.00 0.00 C ATOM 705 CG1 ILE A 71 95.998 -8.959 -3.737 1.00 0.00 C ATOM 706 CG2 ILE A 71 95.991 -8.161 -1.369 1.00 0.00 C ATOM 707 CD1 ILE A 71 94.660 -9.700 -3.709 1.00 0.00 C ATOM 0 H ILE A 71 97.537 -7.113 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 71 98.683 -8.793 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 71 96.610 -10.119 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 71 95.839 -7.908 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 71 96.638 -9.372 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 71 94.939 -8.434 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 71 96.468 -8.259 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 71 96.072 -7.129 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 71 94.173 -9.609 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 71 94.832 -10.753 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 71 94.020 -9.267 -2.940 1.00 0.00 H new ATOM 719 N THR A 72 99.449 -9.112 -4.534 1.00 0.00 N ATOM 720 CA THR A 72 100.170 -9.978 -5.517 1.00 0.00 C ATOM 721 C THR A 72 101.640 -9.553 -5.615 1.00 0.00 C ATOM 722 O THR A 72 101.973 -8.399 -5.420 1.00 0.00 O ATOM 723 CB THR A 72 99.447 -9.759 -6.851 1.00 0.00 C ATOM 724 OG1 THR A 72 100.081 -10.530 -7.862 1.00 0.00 O ATOM 725 CG2 THR A 72 99.488 -8.277 -7.237 1.00 0.00 C ATOM 0 H THR A 72 99.434 -8.118 -4.764 1.00 0.00 H new ATOM 0 HA THR A 72 100.165 -11.028 -5.226 1.00 0.00 H new ATOM 0 HB THR A 72 98.407 -10.069 -6.748 1.00 0.00 H new ATOM 0 HG1 THR A 72 99.619 -10.393 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 72 98.971 -8.134 -8.186 1.00 0.00 H new ATOM 0 HG22 THR A 72 98.997 -7.686 -6.464 1.00 0.00 H new ATOM 0 HG23 THR A 72 100.525 -7.955 -7.336 1.00 0.00 H new ATOM 733 N GLN A 73 102.518 -10.478 -5.909 1.00 0.00 N ATOM 734 CA GLN A 73 103.969 -10.135 -6.016 1.00 0.00 C ATOM 735 C GLN A 73 104.361 -9.927 -7.481 1.00 0.00 C ATOM 736 O GLN A 73 104.123 -10.773 -8.323 1.00 0.00 O ATOM 737 CB GLN A 73 104.704 -11.340 -5.428 1.00 0.00 C ATOM 738 CG GLN A 73 106.199 -11.026 -5.333 1.00 0.00 C ATOM 739 CD GLN A 73 106.420 -9.908 -4.313 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.785 -8.725 -4.729 1.00 0.00 O flip ATOM 741 NE2 GLN A 73 106.254 -10.109 -3.126 1.00 0.00 N flip ATOM 0 H GLN A 73 102.292 -11.458 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 73 104.214 -9.212 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.307 -11.576 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 73 104.545 -12.218 -6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.751 -11.918 -5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.581 -10.724 -6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 73 105.969 -11.033 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 73 106.400 -9.354 -2.456 1.00 0.00 H new ATOM 750 N MET A 74 104.958 -8.802 -7.790 1.00 0.00 N ATOM 751 CA MET A 74 105.366 -8.525 -9.200 1.00 0.00 C ATOM 752 C MET A 74 106.846 -8.868 -9.414 1.00 0.00 C ATOM 753 O MET A 74 107.203 -9.518 -10.378 1.00 0.00 O ATOM 754 CB MET A 74 105.130 -7.026 -9.390 1.00 0.00 C ATOM 755 CG MET A 74 105.451 -6.635 -10.836 1.00 0.00 C ATOM 756 SD MET A 74 104.242 -7.392 -11.951 1.00 0.00 S ATOM 757 CE MET A 74 102.768 -6.590 -11.271 1.00 0.00 C ATOM 0 H MET A 74 105.180 -8.062 -7.124 1.00 0.00 H new ATOM 0 HA MET A 74 104.802 -9.125 -9.914 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.094 -6.778 -9.157 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.756 -6.459 -8.702 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.431 -5.550 -10.943 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.457 -6.963 -11.097 1.00 0.00 H new ATOM 0 HE1 MET A 74 102.077 -6.352 -12.080 1.00 0.00 H new ATOM 0 HE2 MET A 74 102.282 -7.262 -10.564 1.00 0.00 H new ATOM 0 HE3 MET A 74 103.057 -5.672 -10.759 1.00 0.00 H new ATOM 767 N TYR A 75 107.705 -8.431 -8.526 1.00 0.00 N ATOM 768 CA TYR A 75 109.164 -8.726 -8.682 1.00 0.00 C ATOM 769 C TYR A 75 109.675 -9.527 -7.479 1.00 0.00 C ATOM 770 O TYR A 75 109.373 -9.212 -6.342 1.00 0.00 O ATOM 771 CB TYR A 75 109.849 -7.355 -8.741 1.00 0.00 C ATOM 772 CG TYR A 75 109.306 -6.554 -9.901 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.466 -7.016 -11.213 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.638 -5.347 -9.661 1.00 0.00 C ATOM 775 CE1 TYR A 75 108.960 -6.270 -12.284 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.133 -4.600 -10.732 1.00 0.00 C ATOM 777 CZ TYR A 75 108.294 -5.061 -12.044 1.00 0.00 C ATOM 778 OH TYR A 75 107.795 -4.326 -13.099 1.00 0.00 O ATOM 0 H TYR A 75 107.460 -7.884 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 75 109.368 -9.321 -9.572 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.684 -6.817 -7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 75 110.926 -7.482 -8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.980 -7.948 -11.399 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.512 -4.992 -8.649 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.083 -6.627 -13.296 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.619 -3.668 -10.546 1.00 0.00 H new ATOM 0 HH TYR A 75 107.362 -3.516 -12.757 1.00 0.00 H new ATOM 788 N THR A 76 110.445 -10.558 -7.722 1.00 0.00 N ATOM 789 CA THR A 76 110.978 -11.386 -6.599 1.00 0.00 C ATOM 790 C THR A 76 112.317 -12.020 -6.993 1.00 0.00 C ATOM 791 O THR A 76 112.425 -12.650 -8.029 1.00 0.00 O ATOM 792 CB THR A 76 109.919 -12.467 -6.380 1.00 0.00 C ATOM 793 OG1 THR A 76 108.642 -11.856 -6.263 1.00 0.00 O ATOM 794 CG2 THR A 76 110.233 -13.243 -5.102 1.00 0.00 C ATOM 0 H THR A 76 110.728 -10.862 -8.654 1.00 0.00 H new ATOM 0 HA THR A 76 111.161 -10.798 -5.700 1.00 0.00 H new ATOM 0 HB THR A 76 109.920 -13.154 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.010 -12.302 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.477 -14.013 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.213 -13.711 -5.192 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.233 -12.560 -4.252 1.00 0.00 H new ATOM 802 N ASN A 77 113.337 -11.859 -6.181 1.00 0.00 N ATOM 803 CA ASN A 77 114.664 -12.459 -6.524 1.00 0.00 C ATOM 804 C ASN A 77 115.542 -12.618 -5.275 1.00 0.00 C ATOM 805 O ASN A 77 115.928 -11.649 -4.651 1.00 0.00 O ATOM 806 CB ASN A 77 115.296 -11.463 -7.495 1.00 0.00 C ATOM 807 CG ASN A 77 116.506 -12.106 -8.176 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.634 -11.751 -7.899 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.318 -13.044 -9.062 1.00 0.00 N ATOM 0 H ASN A 77 113.307 -11.342 -5.302 1.00 0.00 H new ATOM 0 HA ASN A 77 114.560 -13.456 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.565 -11.156 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.602 -10.564 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.118 -13.479 -9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 77 115.371 -13.343 -9.295 1.00 0.00 H new ATOM 816 N VAL A 78 115.871 -13.837 -4.921 1.00 0.00 N ATOM 817 CA VAL A 78 116.742 -14.074 -3.724 1.00 0.00 C ATOM 818 C VAL A 78 118.170 -13.598 -4.026 1.00 0.00 C ATOM 819 O VAL A 78 118.831 -13.022 -3.181 1.00 0.00 O ATOM 820 CB VAL A 78 116.687 -15.597 -3.483 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.727 -16.035 -2.437 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.295 -15.970 -2.968 1.00 0.00 C ATOM 0 H VAL A 78 115.573 -14.681 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 78 116.412 -13.528 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 78 116.904 -16.100 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.663 -17.113 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.726 -15.775 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.530 -15.527 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.247 -17.045 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.099 -15.443 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.546 -15.688 -3.708 1.00 0.00 H new ATOM 832 N ASP A 79 118.651 -13.842 -5.220 1.00 0.00 N ATOM 833 CA ASP A 79 120.041 -13.412 -5.576 1.00 0.00 C ATOM 834 C ASP A 79 120.177 -11.894 -5.444 1.00 0.00 C ATOM 835 O ASP A 79 121.140 -11.396 -4.891 1.00 0.00 O ATOM 836 CB ASP A 79 120.232 -13.834 -7.033 1.00 0.00 C ATOM 837 CG ASP A 79 120.509 -15.338 -7.106 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.086 -15.863 -6.167 1.00 0.00 O ATOM 839 OD2 ASP A 79 120.139 -15.940 -8.100 1.00 0.00 O ATOM 0 H ASP A 79 118.142 -14.320 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 79 120.787 -13.860 -4.919 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.341 -13.591 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 79 121.060 -13.281 -7.476 1.00 0.00 H new ATOM 844 N GLN A 80 119.212 -11.162 -5.934 1.00 0.00 N ATOM 845 CA GLN A 80 119.269 -9.674 -5.828 1.00 0.00 C ATOM 846 C GLN A 80 118.808 -9.224 -4.433 1.00 0.00 C ATOM 847 O GLN A 80 119.003 -8.089 -4.047 1.00 0.00 O ATOM 848 CB GLN A 80 118.313 -9.163 -6.907 1.00 0.00 C ATOM 849 CG GLN A 80 118.524 -7.661 -7.106 1.00 0.00 C ATOM 850 CD GLN A 80 117.768 -7.199 -8.353 1.00 0.00 C ATOM 851 OE1 GLN A 80 116.715 -7.720 -8.668 1.00 0.00 O ATOM 852 NE2 GLN A 80 118.264 -6.238 -9.083 1.00 0.00 N ATOM 0 H GLN A 80 118.385 -11.531 -6.404 1.00 0.00 H new ATOM 0 HA GLN A 80 120.278 -9.286 -5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.488 -9.693 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.281 -9.361 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.172 -7.115 -6.231 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.587 -7.443 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.147 -5.801 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 80 117.769 -5.924 -9.918 1.00 0.00 H new ATOM 861 N ASP A 81 118.197 -10.110 -3.672 1.00 0.00 N ATOM 862 CA ASP A 81 117.720 -9.746 -2.297 1.00 0.00 C ATOM 863 C ASP A 81 116.832 -8.499 -2.340 1.00 0.00 C ATOM 864 O ASP A 81 116.873 -7.670 -1.450 1.00 0.00 O ATOM 865 CB ASP A 81 118.990 -9.470 -1.481 1.00 0.00 C ATOM 866 CG ASP A 81 118.667 -9.488 0.020 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.534 -9.750 0.395 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.678 -9.207 0.917 1.00 0.00 O ATOM 0 H ASP A 81 118.009 -11.074 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 81 117.120 -10.543 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.747 -10.221 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.407 -8.502 -1.760 1.00 0.00 H new ATOM 874 N LEU A 82 116.030 -8.362 -3.366 1.00 0.00 N ATOM 875 CA LEU A 82 115.137 -7.170 -3.467 1.00 0.00 C ATOM 876 C LEU A 82 113.760 -7.570 -4.004 1.00 0.00 C ATOM 877 O LEU A 82 113.606 -8.572 -4.679 1.00 0.00 O ATOM 878 CB LEU A 82 115.839 -6.222 -4.442 1.00 0.00 C ATOM 879 CG LEU A 82 117.071 -5.613 -3.767 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.870 -4.807 -4.793 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.627 -4.691 -2.630 1.00 0.00 C ATOM 0 H LEU A 82 115.956 -9.025 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 82 114.971 -6.705 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.134 -6.762 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.155 -5.433 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 82 117.695 -6.411 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.747 -4.374 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.188 -5.463 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.245 -4.009 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.504 -4.258 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.002 -3.893 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 82 116.058 -5.264 -1.898 1.00 0.00 H new ATOM 893 N VAL A 83 112.761 -6.782 -3.705 1.00 0.00 N ATOM 894 CA VAL A 83 111.376 -7.082 -4.186 1.00 0.00 C ATOM 895 C VAL A 83 110.732 -5.768 -4.641 1.00 0.00 C ATOM 896 O VAL A 83 111.136 -4.705 -4.210 1.00 0.00 O ATOM 897 CB VAL A 83 110.624 -7.679 -2.980 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.327 -8.332 -3.458 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.481 -8.746 -2.287 1.00 0.00 C ATOM 0 H VAL A 83 112.844 -5.935 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 83 111.358 -7.779 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 83 110.407 -6.875 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 83 108.796 -8.754 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.700 -7.583 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.559 -9.125 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.934 -9.157 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.708 -9.545 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.410 -8.296 -1.937 1.00 0.00 H new ATOM 909 N GLY A 84 109.758 -5.817 -5.517 1.00 0.00 N ATOM 910 CA GLY A 84 109.132 -4.547 -5.995 1.00 0.00 C ATOM 911 C GLY A 84 107.609 -4.673 -6.060 1.00 0.00 C ATOM 912 O GLY A 84 107.067 -5.723 -6.345 1.00 0.00 O ATOM 0 H GLY A 84 109.373 -6.672 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.404 -3.730 -5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.521 -4.295 -6.981 1.00 0.00 H new ATOM 916 N TRP A 85 106.921 -3.587 -5.813 1.00 0.00 N ATOM 917 CA TRP A 85 105.430 -3.592 -5.869 1.00 0.00 C ATOM 918 C TRP A 85 104.952 -2.468 -6.794 1.00 0.00 C ATOM 919 O TRP A 85 105.494 -1.378 -6.782 1.00 0.00 O ATOM 920 CB TRP A 85 104.973 -3.332 -4.433 1.00 0.00 C ATOM 921 CG TRP A 85 105.095 -4.586 -3.627 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.514 -5.769 -3.934 1.00 0.00 C ATOM 923 CD2 TRP A 85 105.828 -4.800 -2.386 1.00 0.00 C ATOM 924 NE1 TRP A 85 104.845 -6.694 -2.960 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.653 -6.145 -1.986 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.620 -3.965 -1.578 1.00 0.00 C ATOM 927 CZ2 TRP A 85 106.243 -6.646 -0.825 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.216 -4.466 -0.409 1.00 0.00 C ATOM 929 CH2 TRP A 85 107.027 -5.803 -0.033 1.00 0.00 C ATOM 0 H TRP A 85 107.336 -2.687 -5.572 1.00 0.00 H new ATOM 0 HA TRP A 85 105.029 -4.529 -6.254 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.577 -2.542 -3.987 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.940 -2.985 -4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.894 -5.960 -4.797 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.530 -7.664 -2.962 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.771 -2.933 -1.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 106.095 -7.677 -0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 107.824 -3.817 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 85 107.487 -6.181 0.868 1.00 0.00 H new ATOM 940 N GLN A 86 103.951 -2.723 -7.598 1.00 0.00 N ATOM 941 CA GLN A 86 103.447 -1.665 -8.530 1.00 0.00 C ATOM 942 C GLN A 86 102.953 -0.445 -7.740 1.00 0.00 C ATOM 943 O GLN A 86 102.285 -0.577 -6.732 1.00 0.00 O ATOM 944 CB GLN A 86 102.294 -2.317 -9.306 1.00 0.00 C ATOM 945 CG GLN A 86 101.182 -2.750 -8.344 1.00 0.00 C ATOM 946 CD GLN A 86 100.045 -3.397 -9.137 1.00 0.00 C ATOM 947 OE1 GLN A 86 100.216 -4.453 -9.714 1.00 0.00 O ATOM 948 NE2 GLN A 86 98.885 -2.803 -9.194 1.00 0.00 N ATOM 0 H GLN A 86 103.461 -3.616 -7.651 1.00 0.00 H new ATOM 0 HA GLN A 86 104.229 -1.308 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.897 -1.615 -10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 86 102.662 -3.181 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 86 101.575 -3.454 -7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 86 100.809 -1.888 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 86 98.741 -1.917 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 86 98.121 -3.225 -9.723 1.00 0.00 H new ATOM 957 N ALA A 87 103.277 0.741 -8.198 1.00 0.00 N ATOM 958 CA ALA A 87 102.829 1.975 -7.483 1.00 0.00 C ATOM 959 C ALA A 87 101.745 2.698 -8.300 1.00 0.00 C ATOM 960 O ALA A 87 101.595 2.440 -9.478 1.00 0.00 O ATOM 961 CB ALA A 87 104.083 2.843 -7.370 1.00 0.00 C ATOM 0 H ALA A 87 103.833 0.906 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 87 102.396 1.754 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 87 103.838 3.772 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 87 104.847 2.307 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.459 3.070 -8.367 1.00 0.00 H new ATOM 967 N PRO A 88 101.015 3.583 -7.653 1.00 0.00 N ATOM 968 CA PRO A 88 99.941 4.329 -8.357 1.00 0.00 C ATOM 969 C PRO A 88 100.544 5.365 -9.322 1.00 0.00 C ATOM 970 O PRO A 88 101.607 5.894 -9.065 1.00 0.00 O ATOM 971 CB PRO A 88 99.178 5.018 -7.229 1.00 0.00 C ATOM 972 CG PRO A 88 100.164 5.137 -6.112 1.00 0.00 C ATOM 973 CD PRO A 88 101.111 3.972 -6.235 1.00 0.00 C ATOM 0 HA PRO A 88 99.304 3.685 -8.964 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.813 5.997 -7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.308 4.435 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 88 100.704 6.082 -6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 88 99.657 5.122 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.129 4.255 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.824 3.153 -5.576 1.00 0.00 H new ATOM 981 N PRO A 89 99.847 5.629 -10.410 1.00 0.00 N ATOM 982 CA PRO A 89 100.346 6.613 -11.401 1.00 0.00 C ATOM 983 C PRO A 89 100.137 8.043 -10.891 1.00 0.00 C ATOM 984 O PRO A 89 99.330 8.286 -10.015 1.00 0.00 O ATOM 985 CB PRO A 89 99.487 6.351 -12.634 1.00 0.00 C ATOM 986 CG PRO A 89 98.225 5.739 -12.114 1.00 0.00 C ATOM 987 CD PRO A 89 98.556 5.047 -10.818 1.00 0.00 C ATOM 0 HA PRO A 89 101.413 6.512 -11.599 1.00 0.00 H new ATOM 0 HB2 PRO A 89 99.282 7.275 -13.174 1.00 0.00 H new ATOM 0 HB3 PRO A 89 99.992 5.680 -13.330 1.00 0.00 H new ATOM 0 HG2 PRO A 89 97.465 6.504 -11.956 1.00 0.00 H new ATOM 0 HG3 PRO A 89 97.818 5.029 -12.834 1.00 0.00 H new ATOM 0 HD2 PRO A 89 97.786 5.222 -10.066 1.00 0.00 H new ATOM 0 HD3 PRO A 89 98.631 3.968 -10.952 1.00 0.00 H new ATOM 995 N GLY A 90 100.858 8.988 -11.441 1.00 0.00 N ATOM 996 CA GLY A 90 100.707 10.407 -10.999 1.00 0.00 C ATOM 997 C GLY A 90 101.736 10.749 -9.912 1.00 0.00 C ATOM 998 O GLY A 90 101.906 11.902 -9.560 1.00 0.00 O ATOM 0 H GLY A 90 101.546 8.837 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.835 11.074 -11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 90 99.699 10.569 -10.617 1.00 0.00 H new ATOM 1002 N ALA A 91 102.425 9.767 -9.376 1.00 0.00 N ATOM 1003 CA ALA A 91 103.437 10.049 -8.313 1.00 0.00 C ATOM 1004 C ALA A 91 104.801 10.350 -8.943 1.00 0.00 C ATOM 1005 O ALA A 91 104.941 10.392 -10.151 1.00 0.00 O ATOM 1006 CB ALA A 91 103.502 8.771 -7.479 1.00 0.00 C ATOM 0 H ALA A 91 102.328 8.784 -9.631 1.00 0.00 H new ATOM 0 HA ALA A 91 103.170 10.917 -7.710 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.226 8.898 -6.674 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.520 8.564 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 91 103.806 7.938 -8.113 1.00 0.00 H new ATOM 1012 N ARG A 92 105.804 10.554 -8.128 1.00 0.00 N ATOM 1013 CA ARG A 92 107.167 10.848 -8.666 1.00 0.00 C ATOM 1014 C ARG A 92 108.211 9.982 -7.950 1.00 0.00 C ATOM 1015 O ARG A 92 107.981 9.501 -6.856 1.00 0.00 O ATOM 1016 CB ARG A 92 107.400 12.342 -8.397 1.00 0.00 C ATOM 1017 CG ARG A 92 107.400 12.626 -6.887 1.00 0.00 C ATOM 1018 CD ARG A 92 107.087 14.110 -6.638 1.00 0.00 C ATOM 1019 NE ARG A 92 108.292 14.667 -5.942 1.00 0.00 N ATOM 1020 CZ ARG A 92 108.378 15.949 -5.649 1.00 0.00 C ATOM 1021 NH1 ARG A 92 107.517 16.820 -6.123 1.00 0.00 N ATOM 1022 NH2 ARG A 92 109.343 16.363 -4.874 1.00 0.00 N ATOM 0 H ARG A 92 105.738 10.530 -7.110 1.00 0.00 H new ATOM 0 HA ARG A 92 107.251 10.624 -9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 92 108.351 12.651 -8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 92 106.622 12.930 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 92 106.659 12.000 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 92 108.370 12.373 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 92 106.900 14.633 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 92 106.193 14.224 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 92 109.059 14.043 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 92 106.760 16.509 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 92 107.605 17.807 -5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 92 110.020 15.697 -4.502 1.00 0.00 H new ATOM 0 HH22 ARG A 92 109.420 17.353 -4.640 1.00 0.00 H new ATOM 1036 N SER A 93 109.350 9.775 -8.562 1.00 0.00 N ATOM 1037 CA SER A 93 110.405 8.932 -7.923 1.00 0.00 C ATOM 1038 C SER A 93 111.789 9.563 -8.102 1.00 0.00 C ATOM 1039 O SER A 93 111.943 10.569 -8.770 1.00 0.00 O ATOM 1040 CB SER A 93 110.332 7.591 -8.651 1.00 0.00 C ATOM 1041 OG SER A 93 109.267 6.821 -8.111 1.00 0.00 O ATOM 0 H SER A 93 109.594 10.154 -9.477 1.00 0.00 H new ATOM 0 HA SER A 93 110.248 8.829 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.176 7.751 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.275 7.054 -8.544 1.00 0.00 H new ATOM 0 HG SER A 93 108.733 7.379 -7.508 1.00 0.00 H new ATOM 1047 N LEU A 94 112.793 8.973 -7.504 1.00 0.00 N ATOM 1048 CA LEU A 94 114.178 9.522 -7.625 1.00 0.00 C ATOM 1049 C LEU A 94 114.840 9.014 -8.910 1.00 0.00 C ATOM 1050 O LEU A 94 114.327 8.135 -9.577 1.00 0.00 O ATOM 1051 CB LEU A 94 114.919 8.993 -6.397 1.00 0.00 C ATOM 1052 CG LEU A 94 114.291 9.575 -5.130 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.753 8.769 -3.915 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.728 11.032 -4.968 1.00 0.00 C ATOM 0 H LEU A 94 112.712 8.131 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 94 114.188 10.611 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.871 7.904 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.973 9.265 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 94 113.205 9.526 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 94 114.306 9.184 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.444 7.730 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.839 8.818 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.281 11.448 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.814 11.080 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.401 11.608 -5.833 1.00 0.00 H new ATOM 1066 N THR A 95 115.978 9.561 -9.255 1.00 0.00 N ATOM 1067 CA THR A 95 116.685 9.115 -10.494 1.00 0.00 C ATOM 1068 C THR A 95 118.037 8.477 -10.131 1.00 0.00 C ATOM 1069 O THR A 95 118.559 8.721 -9.061 1.00 0.00 O ATOM 1070 CB THR A 95 116.896 10.386 -11.320 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.613 11.342 -10.548 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.538 10.962 -11.729 1.00 0.00 C ATOM 0 H THR A 95 116.449 10.299 -8.731 1.00 0.00 H new ATOM 0 HA THR A 95 116.115 8.366 -11.045 1.00 0.00 H new ATOM 0 HB THR A 95 117.469 10.147 -12.216 1.00 0.00 H new ATOM 0 HG1 THR A 95 118.564 11.107 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 95 115.689 11.867 -12.317 1.00 0.00 H new ATOM 0 HG22 THR A 95 114.996 10.228 -12.325 1.00 0.00 H new ATOM 0 HG23 THR A 95 114.961 11.202 -10.836 1.00 0.00 H new ATOM 1080 N PRO A 96 118.565 7.672 -11.030 1.00 0.00 N ATOM 1081 CA PRO A 96 119.865 7.004 -10.766 1.00 0.00 C ATOM 1082 C PRO A 96 121.019 8.007 -10.867 1.00 0.00 C ATOM 1083 O PRO A 96 121.204 8.655 -11.880 1.00 0.00 O ATOM 1084 CB PRO A 96 119.963 5.956 -11.872 1.00 0.00 C ATOM 1085 CG PRO A 96 119.106 6.477 -12.981 1.00 0.00 C ATOM 1086 CD PRO A 96 118.020 7.308 -12.349 1.00 0.00 C ATOM 0 HA PRO A 96 119.925 6.573 -9.767 1.00 0.00 H new ATOM 0 HB2 PRO A 96 120.994 5.824 -12.200 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.612 4.984 -11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.696 7.077 -13.674 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.678 5.655 -13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.797 8.193 -12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.092 6.745 -12.255 1.00 0.00 H new ATOM 1094 N CYS A 97 121.798 8.132 -9.822 1.00 0.00 N ATOM 1095 CA CYS A 97 122.950 9.085 -9.848 1.00 0.00 C ATOM 1096 C CYS A 97 124.045 8.559 -10.779 1.00 0.00 C ATOM 1097 O CYS A 97 124.300 7.370 -10.838 1.00 0.00 O ATOM 1098 CB CYS A 97 123.458 9.144 -8.405 1.00 0.00 C ATOM 1099 SG CYS A 97 124.536 10.584 -8.203 1.00 0.00 S ATOM 0 H CYS A 97 121.686 7.614 -8.950 1.00 0.00 H new ATOM 0 HA CYS A 97 122.661 10.070 -10.215 1.00 0.00 H new ATOM 0 HB2 CYS A 97 122.617 9.206 -7.714 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.003 8.232 -8.162 1.00 0.00 H new ATOM 0 HG CYS A 97 125.314 10.403 -7.177 1.00 0.00 H new ATOM 1104 N THR A 98 124.691 9.434 -11.507 1.00 0.00 N ATOM 1105 CA THR A 98 125.769 8.988 -12.440 1.00 0.00 C ATOM 1106 C THR A 98 126.992 9.907 -12.325 1.00 0.00 C ATOM 1107 O THR A 98 127.268 10.698 -13.208 1.00 0.00 O ATOM 1108 CB THR A 98 125.151 9.078 -13.842 1.00 0.00 C ATOM 1109 OG1 THR A 98 126.121 8.696 -14.808 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.685 10.511 -14.127 1.00 0.00 C ATOM 0 H THR A 98 124.518 10.439 -11.495 1.00 0.00 H new ATOM 0 HA THR A 98 126.114 7.979 -12.214 1.00 0.00 H new ATOM 0 HB THR A 98 124.291 8.410 -13.895 1.00 0.00 H new ATOM 0 HG1 THR A 98 125.729 8.751 -15.705 1.00 0.00 H new ATOM 0 HG21 THR A 98 124.249 10.560 -15.125 1.00 0.00 H new ATOM 0 HG22 THR A 98 123.938 10.804 -13.389 1.00 0.00 H new ATOM 0 HG23 THR A 98 125.537 11.189 -14.070 1.00 0.00 H new ATOM 1118 N CYS A 99 127.721 9.809 -11.241 1.00 0.00 N ATOM 1119 CA CYS A 99 128.925 10.685 -11.065 1.00 0.00 C ATOM 1120 C CYS A 99 130.071 9.963 -10.325 1.00 0.00 C ATOM 1121 O CYS A 99 131.123 10.534 -10.117 1.00 0.00 O ATOM 1122 CB CYS A 99 128.428 11.884 -10.245 1.00 0.00 C ATOM 1123 SG CYS A 99 127.778 11.329 -8.644 1.00 0.00 S ATOM 0 H CYS A 99 127.537 9.164 -10.472 1.00 0.00 H new ATOM 0 HA CYS A 99 129.339 10.977 -12.030 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.244 12.589 -10.089 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.651 12.413 -10.797 1.00 0.00 H new ATOM 0 HG CYS A 99 126.549 10.930 -8.789 1.00 0.00 H new ATOM 1128 N GLY A 100 129.889 8.719 -9.932 1.00 0.00 N ATOM 1129 CA GLY A 100 130.980 7.981 -9.219 1.00 0.00 C ATOM 1130 C GLY A 100 131.434 8.767 -7.984 1.00 0.00 C ATOM 1131 O GLY A 100 132.612 8.838 -7.685 1.00 0.00 O ATOM 0 H GLY A 100 129.031 8.186 -10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.626 6.994 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.824 7.827 -9.891 1.00 0.00 H new ATOM 1135 N SER A 101 130.511 9.360 -7.269 1.00 0.00 N ATOM 1136 CA SER A 101 130.890 10.146 -6.053 1.00 0.00 C ATOM 1137 C SER A 101 131.371 9.207 -4.944 1.00 0.00 C ATOM 1138 O SER A 101 130.661 8.312 -4.526 1.00 0.00 O ATOM 1139 CB SER A 101 129.613 10.869 -5.626 1.00 0.00 C ATOM 1140 OG SER A 101 129.880 11.650 -4.469 1.00 0.00 O ATOM 0 H SER A 101 129.512 9.334 -7.474 1.00 0.00 H new ATOM 0 HA SER A 101 131.703 10.844 -6.254 1.00 0.00 H new ATOM 0 HB2 SER A 101 129.255 11.506 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.825 10.146 -5.417 1.00 0.00 H new ATOM 0 HG SER A 101 129.573 11.169 -3.672 1.00 0.00 H new ATOM 1146 N SER A 102 132.573 9.408 -4.466 1.00 0.00 N ATOM 1147 CA SER A 102 133.111 8.531 -3.380 1.00 0.00 C ATOM 1148 C SER A 102 132.379 8.807 -2.063 1.00 0.00 C ATOM 1149 O SER A 102 132.074 7.900 -1.312 1.00 0.00 O ATOM 1150 CB SER A 102 134.590 8.901 -3.256 1.00 0.00 C ATOM 1151 OG SER A 102 135.282 8.462 -4.419 1.00 0.00 O ATOM 0 H SER A 102 133.207 10.143 -4.781 1.00 0.00 H new ATOM 0 HA SER A 102 132.975 7.473 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.699 9.979 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 102 135.019 8.439 -2.367 1.00 0.00 H new ATOM 0 HG SER A 102 136.230 8.699 -4.344 1.00 0.00 H new ATOM 1157 N ASP A 103 132.098 10.054 -1.781 1.00 0.00 N ATOM 1158 CA ASP A 103 131.387 10.399 -0.513 1.00 0.00 C ATOM 1159 C ASP A 103 129.880 10.187 -0.678 1.00 0.00 C ATOM 1160 O ASP A 103 129.247 10.802 -1.516 1.00 0.00 O ATOM 1161 CB ASP A 103 131.698 11.878 -0.272 1.00 0.00 C ATOM 1162 CG ASP A 103 131.215 12.280 1.123 1.00 0.00 C ATOM 1163 OD1 ASP A 103 132.001 12.857 1.857 1.00 0.00 O ATOM 1164 OD2 ASP A 103 130.067 12.006 1.432 1.00 0.00 O ATOM 0 H ASP A 103 132.331 10.849 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 103 131.706 9.775 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 103 132.770 12.055 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 103 131.209 12.491 -1.029 1.00 0.00 H new ATOM 1169 N LEU A 104 129.305 9.319 0.115 1.00 0.00 N ATOM 1170 CA LEU A 104 127.837 9.059 0.009 1.00 0.00 C ATOM 1171 C LEU A 104 127.176 9.151 1.387 1.00 0.00 C ATOM 1172 O LEU A 104 127.791 8.877 2.399 1.00 0.00 O ATOM 1173 CB LEU A 104 127.728 7.636 -0.539 1.00 0.00 C ATOM 1174 CG LEU A 104 128.338 7.578 -1.939 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.417 6.123 -2.402 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.460 8.373 -2.908 1.00 0.00 C ATOM 0 H LEU A 104 129.789 8.779 0.832 1.00 0.00 H new ATOM 0 HA LEU A 104 127.337 9.786 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.244 6.940 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.683 7.328 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 104 129.340 8.007 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.852 6.082 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.040 5.555 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.415 5.694 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.893 8.333 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.459 7.942 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.402 9.410 -2.579 1.00 0.00 H new ATOM 1188 N TYR A 105 125.925 9.531 1.427 1.00 0.00 N ATOM 1189 CA TYR A 105 125.210 9.637 2.734 1.00 0.00 C ATOM 1190 C TYR A 105 124.072 8.614 2.785 1.00 0.00 C ATOM 1191 O TYR A 105 123.310 8.477 1.847 1.00 0.00 O ATOM 1192 CB TYR A 105 124.654 11.062 2.774 1.00 0.00 C ATOM 1193 CG TYR A 105 125.793 12.053 2.725 1.00 0.00 C ATOM 1194 CD1 TYR A 105 126.575 12.277 3.864 1.00 0.00 C ATOM 1195 CD2 TYR A 105 126.065 12.748 1.541 1.00 0.00 C ATOM 1196 CE1 TYR A 105 127.631 13.197 3.818 1.00 0.00 C ATOM 1197 CE2 TYR A 105 127.119 13.668 1.494 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.902 13.891 2.633 1.00 0.00 C ATOM 1199 OH TYR A 105 128.943 14.797 2.588 1.00 0.00 O ATOM 0 H TYR A 105 125.366 9.773 0.609 1.00 0.00 H new ATOM 0 HA TYR A 105 125.864 9.437 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.981 11.224 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 105 124.069 11.209 3.682 1.00 0.00 H new ATOM 0 HD1 TYR A 105 126.365 11.741 4.778 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.461 12.574 0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 105 128.235 13.370 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.328 14.205 0.581 1.00 0.00 H new ATOM 0 HH TYR A 105 128.996 15.190 1.692 1.00 0.00 H new ATOM 1209 N LEU A 106 123.956 7.891 3.870 1.00 0.00 N ATOM 1210 CA LEU A 106 122.872 6.869 3.984 1.00 0.00 C ATOM 1211 C LEU A 106 121.869 7.275 5.068 1.00 0.00 C ATOM 1212 O LEU A 106 122.243 7.739 6.127 1.00 0.00 O ATOM 1213 CB LEU A 106 123.588 5.576 4.373 1.00 0.00 C ATOM 1214 CG LEU A 106 122.607 4.404 4.298 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.369 3.121 3.963 1.00 0.00 C ATOM 1216 CD2 LEU A 106 121.905 4.242 5.649 1.00 0.00 C ATOM 0 H LEU A 106 124.567 7.965 4.684 1.00 0.00 H new ATOM 0 HA LEU A 106 122.308 6.761 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.432 5.401 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 106 123.992 5.661 5.382 1.00 0.00 H new ATOM 0 HG LEU A 106 121.866 4.599 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.670 2.286 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 106 123.871 3.236 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.110 2.925 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.206 3.408 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 106 122.647 4.047 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.362 5.156 5.889 1.00 0.00 H new ATOM 1228 N VAL A 107 120.598 7.098 4.807 1.00 0.00 N ATOM 1229 CA VAL A 107 119.562 7.467 5.819 1.00 0.00 C ATOM 1230 C VAL A 107 119.130 6.221 6.599 1.00 0.00 C ATOM 1231 O VAL A 107 118.796 5.204 6.023 1.00 0.00 O ATOM 1232 CB VAL A 107 118.391 8.034 5.007 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.260 8.450 5.952 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.862 9.259 4.217 1.00 0.00 C ATOM 0 H VAL A 107 120.233 6.713 3.936 1.00 0.00 H new ATOM 0 HA VAL A 107 119.930 8.189 6.548 1.00 0.00 H new ATOM 0 HB VAL A 107 118.029 7.270 4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.430 8.852 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.920 7.582 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.624 9.212 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 107 118.030 9.662 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 107 119.226 10.019 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.666 8.969 3.540 1.00 0.00 H new ATOM 1244 N THR A 108 119.143 6.297 7.906 1.00 0.00 N ATOM 1245 CA THR A 108 118.742 5.119 8.734 1.00 0.00 C ATOM 1246 C THR A 108 117.307 5.288 9.243 1.00 0.00 C ATOM 1247 O THR A 108 116.716 6.344 9.126 1.00 0.00 O ATOM 1248 CB THR A 108 119.724 5.101 9.907 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.610 6.315 10.635 1.00 0.00 O ATOM 1250 CG2 THR A 108 121.154 4.947 9.384 1.00 0.00 C ATOM 0 H THR A 108 119.414 7.125 8.436 1.00 0.00 H new ATOM 0 HA THR A 108 118.770 4.191 8.163 1.00 0.00 H new ATOM 0 HB THR A 108 119.491 4.261 10.561 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.507 6.116 11.589 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.849 4.935 10.224 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.240 4.013 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.393 5.783 8.727 1.00 0.00 H new ATOM 1258 N ARG A 109 116.750 4.249 9.811 1.00 0.00 N ATOM 1259 CA ARG A 109 115.354 4.332 10.339 1.00 0.00 C ATOM 1260 C ARG A 109 115.270 5.373 11.464 1.00 0.00 C ATOM 1261 O ARG A 109 114.212 5.906 11.744 1.00 0.00 O ATOM 1262 CB ARG A 109 115.041 2.932 10.876 1.00 0.00 C ATOM 1263 CG ARG A 109 113.600 2.889 11.391 1.00 0.00 C ATOM 1264 CD ARG A 109 113.289 1.491 11.928 1.00 0.00 C ATOM 1265 NE ARG A 109 111.870 1.563 12.391 1.00 0.00 N ATOM 1266 CZ ARG A 109 111.563 2.024 13.586 1.00 0.00 C ATOM 1267 NH1 ARG A 109 112.456 2.620 14.342 1.00 0.00 N ATOM 1268 NH2 ARG A 109 110.342 1.888 14.028 1.00 0.00 N ATOM 0 H ARG A 109 117.203 3.343 9.932 1.00 0.00 H new ATOM 0 HA ARG A 109 114.644 4.638 9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.179 2.191 10.089 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.732 2.677 11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.462 3.631 12.178 1.00 0.00 H new ATOM 0 HG3 ARG A 109 112.908 3.143 10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 109 113.414 0.734 11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 109 113.958 1.224 12.746 1.00 0.00 H new ATOM 0 HE ARG A 109 111.125 1.249 11.769 1.00 0.00 H new ATOM 0 HH11 ARG A 109 113.413 2.735 14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 109 112.193 2.968 15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 109 109.638 1.429 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 109 110.092 2.241 14.952 1.00 0.00 H new ATOM 1282 N HIS A 110 116.373 5.663 12.110 1.00 0.00 N ATOM 1283 CA HIS A 110 116.361 6.666 13.219 1.00 0.00 C ATOM 1284 C HIS A 110 116.704 8.066 12.690 1.00 0.00 C ATOM 1285 O HIS A 110 117.191 8.910 13.419 1.00 0.00 O ATOM 1286 CB HIS A 110 117.436 6.182 14.194 1.00 0.00 C ATOM 1287 CG HIS A 110 117.439 7.055 15.419 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.340 7.158 16.258 1.00 0.00 N ATOM 1289 CD2 HIS A 110 118.401 7.872 15.960 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.665 8.008 17.249 1.00 0.00 C ATOM 1291 NE2 HIS A 110 117.911 8.472 17.116 1.00 0.00 N ATOM 0 H HIS A 110 117.284 5.247 11.916 1.00 0.00 H new ATOM 0 HA HIS A 110 115.381 6.745 13.690 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.246 5.146 14.474 1.00 0.00 H new ATOM 0 HB3 HIS A 110 118.414 6.209 13.714 1.00 0.00 H new ATOM 0 HD2 HIS A 110 119.388 8.026 15.550 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.000 8.282 18.054 1.00 0.00 H new ATOM 0 HE2 HIS A 110 118.398 9.125 17.730 1.00 0.00 H new ATOM 1299 N ALA A 111 116.450 8.324 11.428 1.00 0.00 N ATOM 1300 CA ALA A 111 116.752 9.671 10.839 1.00 0.00 C ATOM 1301 C ALA A 111 118.221 10.048 11.065 1.00 0.00 C ATOM 1302 O ALA A 111 118.531 11.165 11.437 1.00 0.00 O ATOM 1303 CB ALA A 111 115.825 10.654 11.562 1.00 0.00 C ATOM 0 H ALA A 111 116.043 7.654 10.775 1.00 0.00 H new ATOM 0 HA ALA A 111 116.590 9.682 9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.993 11.661 11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.787 10.369 11.390 1.00 0.00 H new ATOM 0 HB3 ALA A 111 116.035 10.632 12.631 1.00 0.00 H new ATOM 1309 N ASP A 112 119.122 9.128 10.837 1.00 0.00 N ATOM 1310 CA ASP A 112 120.572 9.427 11.030 1.00 0.00 C ATOM 1311 C ASP A 112 121.299 9.383 9.683 1.00 0.00 C ATOM 1312 O ASP A 112 120.856 8.734 8.753 1.00 0.00 O ATOM 1313 CB ASP A 112 121.089 8.326 11.957 1.00 0.00 C ATOM 1314 CG ASP A 112 122.296 8.844 12.742 1.00 0.00 C ATOM 1315 OD1 ASP A 112 122.178 8.982 13.948 1.00 0.00 O ATOM 1316 OD2 ASP A 112 123.317 9.093 12.123 1.00 0.00 O ATOM 0 H ASP A 112 118.915 8.179 10.524 1.00 0.00 H new ATOM 0 HA ASP A 112 120.738 10.419 11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.302 8.015 12.644 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.370 7.448 11.375 1.00 0.00 H new ATOM 1321 N VAL A 113 122.407 10.071 9.572 1.00 0.00 N ATOM 1322 CA VAL A 113 123.164 10.075 8.283 1.00 0.00 C ATOM 1323 C VAL A 113 124.651 9.791 8.534 1.00 0.00 C ATOM 1324 O VAL A 113 125.245 10.319 9.456 1.00 0.00 O ATOM 1325 CB VAL A 113 122.960 11.482 7.706 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.510 12.534 8.676 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.690 11.600 6.364 1.00 0.00 C ATOM 0 H VAL A 113 122.820 10.630 10.318 1.00 0.00 H new ATOM 0 HA VAL A 113 122.815 9.304 7.596 1.00 0.00 H new ATOM 0 HB VAL A 113 121.893 11.651 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 113 123.360 13.529 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.986 12.459 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 113 124.575 12.363 8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 113 123.543 12.600 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 113 124.755 11.421 6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 113 123.292 10.863 5.667 1.00 0.00 H new ATOM 1337 N ILE A 114 125.251 8.967 7.714 1.00 0.00 N ATOM 1338 CA ILE A 114 126.700 8.647 7.889 1.00 0.00 C ATOM 1339 C ILE A 114 127.411 8.665 6.523 1.00 0.00 C ATOM 1340 O ILE A 114 126.847 8.232 5.538 1.00 0.00 O ATOM 1341 CB ILE A 114 126.735 7.241 8.502 1.00 0.00 C ATOM 1342 CG1 ILE A 114 126.014 6.247 7.580 1.00 0.00 C ATOM 1343 CG2 ILE A 114 126.042 7.262 9.865 1.00 0.00 C ATOM 1344 CD1 ILE A 114 126.177 4.827 8.128 1.00 0.00 C ATOM 0 H ILE A 114 124.798 8.500 6.928 1.00 0.00 H new ATOM 0 HA ILE A 114 127.209 9.372 8.524 1.00 0.00 H new ATOM 0 HB ILE A 114 127.773 6.930 8.621 1.00 0.00 H new ATOM 0 HG12 ILE A 114 124.956 6.502 7.510 1.00 0.00 H new ATOM 0 HG13 ILE A 114 126.424 6.308 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 114 126.067 6.263 10.301 1.00 0.00 H new ATOM 0 HG22 ILE A 114 126.558 7.959 10.525 1.00 0.00 H new ATOM 0 HG23 ILE A 114 125.006 7.579 9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 114 125.665 4.123 7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 114 127.236 4.574 8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 114 125.746 4.771 9.128 1.00 0.00 H new ATOM 1356 N PRO A 115 128.630 9.167 6.496 1.00 0.00 N ATOM 1357 CA PRO A 115 129.385 9.224 5.221 1.00 0.00 C ATOM 1358 C PRO A 115 129.929 7.839 4.859 1.00 0.00 C ATOM 1359 O PRO A 115 130.397 7.107 5.710 1.00 0.00 O ATOM 1360 CB PRO A 115 130.524 10.193 5.518 1.00 0.00 C ATOM 1361 CG PRO A 115 130.721 10.129 6.999 1.00 0.00 C ATOM 1362 CD PRO A 115 129.408 9.721 7.617 1.00 0.00 C ATOM 0 HA PRO A 115 128.773 9.541 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 115 131.432 9.907 4.988 1.00 0.00 H new ATOM 0 HB3 PRO A 115 130.273 11.204 5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.502 9.411 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 115 131.041 11.097 7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.553 8.981 8.404 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.901 10.573 8.070 1.00 0.00 H new ATOM 1370 N VAL A 116 129.871 7.480 3.602 1.00 0.00 N ATOM 1371 CA VAL A 116 130.383 6.145 3.173 1.00 0.00 C ATOM 1372 C VAL A 116 131.389 6.316 2.032 1.00 0.00 C ATOM 1373 O VAL A 116 131.125 6.993 1.056 1.00 0.00 O ATOM 1374 CB VAL A 116 129.145 5.375 2.695 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.556 3.976 2.227 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.144 5.248 3.847 1.00 0.00 C ATOM 0 H VAL A 116 129.490 8.057 2.852 1.00 0.00 H new ATOM 0 HA VAL A 116 130.898 5.618 3.977 1.00 0.00 H new ATOM 0 HB VAL A 116 128.685 5.915 1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.674 3.432 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.267 4.062 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.019 3.437 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.265 4.701 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.608 4.711 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.846 6.242 4.181 1.00 0.00 H new ATOM 1386 N ARG A 117 132.540 5.705 2.149 1.00 0.00 N ATOM 1387 CA ARG A 117 133.572 5.824 1.076 1.00 0.00 C ATOM 1388 C ARG A 117 133.383 4.714 0.040 1.00 0.00 C ATOM 1389 O ARG A 117 133.138 3.571 0.384 1.00 0.00 O ATOM 1390 CB ARG A 117 134.911 5.663 1.798 1.00 0.00 C ATOM 1391 CG ARG A 117 136.057 5.940 0.822 1.00 0.00 C ATOM 1392 CD ARG A 117 136.323 7.446 0.760 1.00 0.00 C ATOM 1393 NE ARG A 117 137.735 7.568 0.288 1.00 0.00 N ATOM 1394 CZ ARG A 117 138.462 8.631 0.568 1.00 0.00 C ATOM 1395 NH1 ARG A 117 137.925 9.708 1.094 1.00 0.00 N ATOM 1396 NH2 ARG A 117 139.741 8.616 0.315 1.00 0.00 N ATOM 0 H ARG A 117 132.810 5.127 2.945 1.00 0.00 H new ATOM 0 HA ARG A 117 133.509 6.772 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.965 6.350 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.999 4.654 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.956 5.414 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.804 5.564 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.634 7.941 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 117 136.191 7.911 1.737 1.00 0.00 H new ATOM 0 HE ARG A 117 138.145 6.813 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 117 136.925 9.734 1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 117 138.508 10.519 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 117 140.170 7.787 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 117 140.313 9.434 0.528 1.00 0.00 H new ATOM 1410 N ARG A 118 133.493 5.040 -1.224 1.00 0.00 N ATOM 1411 CA ARG A 118 133.318 4.004 -2.286 1.00 0.00 C ATOM 1412 C ARG A 118 134.616 3.216 -2.475 1.00 0.00 C ATOM 1413 O ARG A 118 135.663 3.780 -2.729 1.00 0.00 O ATOM 1414 CB ARG A 118 132.981 4.786 -3.556 1.00 0.00 C ATOM 1415 CG ARG A 118 132.677 3.803 -4.689 1.00 0.00 C ATOM 1416 CD ARG A 118 132.339 4.580 -5.963 1.00 0.00 C ATOM 1417 NE ARG A 118 131.964 3.534 -6.963 1.00 0.00 N ATOM 1418 CZ ARG A 118 132.880 2.889 -7.657 1.00 0.00 C ATOM 1419 NH1 ARG A 118 134.156 2.989 -7.367 1.00 0.00 N ATOM 1420 NH2 ARG A 118 132.509 2.132 -8.654 1.00 0.00 N ATOM 0 H ARG A 118 133.697 5.979 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 118 132.540 3.284 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 118 132.122 5.434 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.815 5.431 -3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.536 3.155 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.843 3.159 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.519 5.278 -5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 118 133.191 5.167 -6.306 1.00 0.00 H new ATOM 0 HE ARG A 118 130.979 3.315 -7.111 1.00 0.00 H new ATOM 0 HH11 ARG A 118 134.458 3.576 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 118 134.846 2.480 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 118 131.520 2.045 -8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 118 133.208 1.628 -9.199 1.00 0.00 H new ATOM 1434 N ARG A 119 134.550 1.914 -2.352 1.00 0.00 N ATOM 1435 CA ARG A 119 135.776 1.076 -2.525 1.00 0.00 C ATOM 1436 C ARG A 119 135.509 -0.058 -3.522 1.00 0.00 C ATOM 1437 O ARG A 119 136.154 -1.088 -3.486 1.00 0.00 O ATOM 1438 CB ARG A 119 136.073 0.512 -1.133 1.00 0.00 C ATOM 1439 CG ARG A 119 136.314 1.663 -0.151 1.00 0.00 C ATOM 1440 CD ARG A 119 137.678 2.305 -0.430 1.00 0.00 C ATOM 1441 NE ARG A 119 138.659 1.521 0.385 1.00 0.00 N ATOM 1442 CZ ARG A 119 139.957 1.723 0.272 1.00 0.00 C ATOM 1443 NH1 ARG A 119 140.454 2.466 -0.689 1.00 0.00 N ATOM 1444 NH2 ARG A 119 140.766 1.170 1.134 1.00 0.00 N ATOM 0 H ARG A 119 133.699 1.394 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 119 136.615 1.650 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 119 135.238 -0.101 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 119 136.949 -0.136 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 119 135.524 2.408 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.279 1.293 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.924 2.260 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.683 3.357 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 119 138.317 0.818 1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 119 139.832 2.902 -1.370 1.00 0.00 H new ATOM 0 HH12 ARG A 119 141.462 2.607 -0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 119 140.392 0.589 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 119 141.772 1.319 1.057 1.00 0.00 H new ATOM 1458 N GLY A 120 134.563 0.128 -4.410 1.00 0.00 N ATOM 1459 CA GLY A 120 134.248 -0.935 -5.411 1.00 0.00 C ATOM 1460 C GLY A 120 132.946 -0.584 -6.132 1.00 0.00 C ATOM 1461 O GLY A 120 132.329 0.428 -5.856 1.00 0.00 O ATOM 0 H GLY A 120 133.995 0.972 -4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 120 135.062 -1.025 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 120 134.153 -1.901 -4.915 1.00 0.00 H new ATOM 1465 N ASP A 121 132.526 -1.413 -7.056 1.00 0.00 N ATOM 1466 CA ASP A 121 131.259 -1.128 -7.801 1.00 0.00 C ATOM 1467 C ASP A 121 130.075 -1.082 -6.831 1.00 0.00 C ATOM 1468 O ASP A 121 129.205 -0.237 -6.941 1.00 0.00 O ATOM 1469 CB ASP A 121 131.099 -2.291 -8.784 1.00 0.00 C ATOM 1470 CG ASP A 121 132.166 -2.193 -9.880 1.00 0.00 C ATOM 1471 OD1 ASP A 121 132.569 -1.085 -10.193 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.561 -3.230 -10.387 1.00 0.00 O ATOM 0 H ASP A 121 133.004 -2.273 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 121 131.292 -0.166 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.192 -3.241 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 121 130.104 -2.269 -9.229 1.00 0.00 H new ATOM 1477 N SER A 122 130.037 -1.984 -5.883 1.00 0.00 N ATOM 1478 CA SER A 122 128.914 -1.999 -4.899 1.00 0.00 C ATOM 1479 C SER A 122 129.443 -2.244 -3.482 1.00 0.00 C ATOM 1480 O SER A 122 128.727 -2.721 -2.621 1.00 0.00 O ATOM 1481 CB SER A 122 128.018 -3.156 -5.341 1.00 0.00 C ATOM 1482 OG SER A 122 128.820 -4.303 -5.587 1.00 0.00 O ATOM 0 H SER A 122 130.738 -2.713 -5.748 1.00 0.00 H new ATOM 0 HA SER A 122 128.379 -1.050 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.279 -3.374 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.469 -2.882 -6.242 1.00 0.00 H new ATOM 0 HG SER A 122 128.248 -5.047 -5.869 1.00 0.00 H new ATOM 1488 N ARG A 123 130.690 -1.925 -3.234 1.00 0.00 N ATOM 1489 CA ARG A 123 131.266 -2.143 -1.873 1.00 0.00 C ATOM 1490 C ARG A 123 131.985 -0.881 -1.387 1.00 0.00 C ATOM 1491 O ARG A 123 132.664 -0.213 -2.145 1.00 0.00 O ATOM 1492 CB ARG A 123 132.255 -3.294 -2.042 1.00 0.00 C ATOM 1493 CG ARG A 123 132.764 -3.737 -0.668 1.00 0.00 C ATOM 1494 CD ARG A 123 132.966 -5.254 -0.663 1.00 0.00 C ATOM 1495 NE ARG A 123 134.230 -5.473 0.104 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.247 -5.444 1.421 1.00 0.00 C ATOM 1497 NH1 ARG A 123 133.209 -5.028 2.110 1.00 0.00 N ATOM 1498 NH2 ARG A 123 135.318 -5.834 2.054 1.00 0.00 N ATOM 0 H ARG A 123 131.333 -1.523 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 123 130.498 -2.370 -1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.773 -4.130 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 123 133.091 -2.980 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 123 133.703 -3.234 -0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 123 132.051 -3.452 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 123 132.125 -5.763 -0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 123 133.047 -5.645 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 123 135.098 -5.649 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.366 -4.718 1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 123 133.246 -5.015 3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 123 136.131 -6.157 1.530 1.00 0.00 H new ATOM 0 HH22 ARG A 123 135.343 -5.816 3.074 1.00 0.00 H new ATOM 1512 N GLY A 124 131.839 -0.556 -0.128 1.00 0.00 N ATOM 1513 CA GLY A 124 132.509 0.658 0.421 1.00 0.00 C ATOM 1514 C GLY A 124 132.901 0.405 1.877 1.00 0.00 C ATOM 1515 O GLY A 124 132.655 -0.656 2.419 1.00 0.00 O ATOM 0 H GLY A 124 131.282 -1.082 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 124 133.394 0.897 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.841 1.517 0.356 1.00 0.00 H new ATOM 1519 N SER A 125 133.509 1.374 2.514 1.00 0.00 N ATOM 1520 CA SER A 125 133.922 1.197 3.938 1.00 0.00 C ATOM 1521 C SER A 125 133.435 2.378 4.782 1.00 0.00 C ATOM 1522 O SER A 125 133.389 3.504 4.321 1.00 0.00 O ATOM 1523 CB SER A 125 135.448 1.150 3.906 1.00 0.00 C ATOM 1524 OG SER A 125 135.942 1.003 5.232 1.00 0.00 O ATOM 0 H SER A 125 133.737 2.281 2.108 1.00 0.00 H new ATOM 0 HA SER A 125 133.498 0.296 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.785 0.319 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.842 2.062 3.458 1.00 0.00 H new ATOM 0 HG SER A 125 136.921 0.971 5.215 1.00 0.00 H new ATOM 1530 N LEU A 126 133.067 2.125 6.012 1.00 0.00 N ATOM 1531 CA LEU A 126 132.576 3.224 6.896 1.00 0.00 C ATOM 1532 C LEU A 126 133.695 3.685 7.836 1.00 0.00 C ATOM 1533 O LEU A 126 134.417 2.881 8.394 1.00 0.00 O ATOM 1534 CB LEU A 126 131.429 2.601 7.693 1.00 0.00 C ATOM 1535 CG LEU A 126 130.644 3.703 8.404 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.867 4.520 7.371 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.663 3.072 9.395 1.00 0.00 C ATOM 0 H LEU A 126 133.086 1.201 6.443 1.00 0.00 H new ATOM 0 HA LEU A 126 132.255 4.100 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.771 2.043 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.822 1.892 8.422 1.00 0.00 H new ATOM 0 HG LEU A 126 131.335 4.354 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 126 129.306 5.307 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 126 130.564 4.969 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 126 129.176 3.868 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 126 129.103 3.857 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.972 2.422 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.215 2.487 10.131 1.00 0.00 H new ATOM 1549 N LEU A 127 133.843 4.975 8.010 1.00 0.00 N ATOM 1550 CA LEU A 127 134.917 5.496 8.912 1.00 0.00 C ATOM 1551 C LEU A 127 134.592 5.173 10.373 1.00 0.00 C ATOM 1552 O LEU A 127 135.463 4.819 11.146 1.00 0.00 O ATOM 1553 CB LEU A 127 134.939 7.010 8.689 1.00 0.00 C ATOM 1554 CG LEU A 127 135.646 7.331 7.361 1.00 0.00 C ATOM 1555 CD1 LEU A 127 134.612 7.741 6.309 1.00 0.00 C ATOM 1556 CD2 LEU A 127 136.635 8.481 7.570 1.00 0.00 C ATOM 0 H LEU A 127 133.267 5.690 7.566 1.00 0.00 H new ATOM 0 HA LEU A 127 135.884 5.042 8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 127 133.921 7.399 8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 127 135.455 7.501 9.514 1.00 0.00 H new ATOM 0 HG LEU A 127 136.181 6.445 7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 127 135.118 7.967 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.907 6.924 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 127 134.073 8.624 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 127 137.135 8.707 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 127 136.098 9.364 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 127 137.377 8.192 8.314 1.00 0.00 H new ATOM 1568 N SER A 128 133.345 5.292 10.757 1.00 0.00 N ATOM 1569 CA SER A 128 132.960 4.995 12.169 1.00 0.00 C ATOM 1570 C SER A 128 132.378 3.572 12.271 1.00 0.00 C ATOM 1571 O SER A 128 131.289 3.327 11.793 1.00 0.00 O ATOM 1572 CB SER A 128 131.892 6.032 12.511 1.00 0.00 C ATOM 1573 OG SER A 128 131.455 5.832 13.849 1.00 0.00 O ATOM 0 H SER A 128 132.577 5.582 10.152 1.00 0.00 H new ATOM 0 HA SER A 128 133.810 5.042 12.849 1.00 0.00 H new ATOM 0 HB2 SER A 128 132.295 7.038 12.394 1.00 0.00 H new ATOM 0 HB3 SER A 128 131.050 5.944 11.824 1.00 0.00 H new ATOM 0 HG SER A 128 130.771 6.497 14.072 1.00 0.00 H new ATOM 1579 N PRO A 129 133.116 2.669 12.889 1.00 0.00 N ATOM 1580 CA PRO A 129 132.630 1.277 13.029 1.00 0.00 C ATOM 1581 C PRO A 129 131.572 1.180 14.132 1.00 0.00 C ATOM 1582 O PRO A 129 131.732 1.726 15.207 1.00 0.00 O ATOM 1583 CB PRO A 129 133.879 0.491 13.411 1.00 0.00 C ATOM 1584 CG PRO A 129 134.791 1.488 14.054 1.00 0.00 C ATOM 1585 CD PRO A 129 134.444 2.846 13.501 1.00 0.00 C ATOM 0 HA PRO A 129 132.157 0.903 12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.638 -0.321 14.097 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.344 0.041 12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.671 1.474 15.137 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.833 1.244 13.845 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.421 3.600 14.288 1.00 0.00 H new ATOM 0 HD3 PRO A 129 135.179 3.174 12.766 1.00 0.00 H new ATOM 1593 N ARG A 130 130.497 0.480 13.871 1.00 0.00 N ATOM 1594 CA ARG A 130 129.422 0.332 14.900 1.00 0.00 C ATOM 1595 C ARG A 130 128.949 -1.129 14.951 1.00 0.00 C ATOM 1596 O ARG A 130 129.193 -1.881 14.029 1.00 0.00 O ATOM 1597 CB ARG A 130 128.286 1.245 14.436 1.00 0.00 C ATOM 1598 CG ARG A 130 128.782 2.691 14.369 1.00 0.00 C ATOM 1599 CD ARG A 130 127.606 3.621 14.051 1.00 0.00 C ATOM 1600 NE ARG A 130 127.994 4.955 14.610 1.00 0.00 N ATOM 1601 CZ ARG A 130 127.229 6.015 14.443 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.205 5.998 13.620 1.00 0.00 N ATOM 1603 NH2 ARG A 130 127.495 7.106 15.106 1.00 0.00 N ATOM 0 H ARG A 130 130.317 0.003 12.987 1.00 0.00 H new ATOM 0 HA ARG A 130 129.768 0.598 15.899 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.928 0.927 13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.443 1.171 15.123 1.00 0.00 H new ATOM 0 HG2 ARG A 130 129.237 2.975 15.318 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.553 2.787 13.604 1.00 0.00 H new ATOM 0 HD2 ARG A 130 127.431 3.681 12.977 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.684 3.258 14.504 1.00 0.00 H new ATOM 0 HE ARG A 130 128.867 5.045 15.130 1.00 0.00 H new ATOM 0 HH11 ARG A 130 125.988 5.152 13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 130 125.627 6.831 13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 130 128.289 7.133 15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 130 126.909 7.932 14.984 1.00 0.00 H new ATOM 1617 N PRO A 131 128.282 -1.493 16.025 1.00 0.00 N ATOM 1618 CA PRO A 131 127.784 -2.883 16.160 1.00 0.00 C ATOM 1619 C PRO A 131 126.616 -3.124 15.198 1.00 0.00 C ATOM 1620 O PRO A 131 125.875 -2.216 14.871 1.00 0.00 O ATOM 1621 CB PRO A 131 127.323 -2.966 17.613 1.00 0.00 C ATOM 1622 CG PRO A 131 127.017 -1.556 18.002 1.00 0.00 C ATOM 1623 CD PRO A 131 127.929 -0.669 17.196 1.00 0.00 C ATOM 0 HA PRO A 131 128.537 -3.633 15.919 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.444 -3.603 17.713 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.099 -3.392 18.250 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.972 -1.319 17.801 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.179 -1.407 19.070 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.429 0.253 16.899 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.814 -0.384 17.765 1.00 0.00 H new ATOM 1631 N VAL A 132 126.447 -4.342 14.743 1.00 0.00 N ATOM 1632 CA VAL A 132 125.324 -4.650 13.799 1.00 0.00 C ATOM 1633 C VAL A 132 123.981 -4.304 14.458 1.00 0.00 C ATOM 1634 O VAL A 132 123.052 -3.877 13.798 1.00 0.00 O ATOM 1635 CB VAL A 132 125.432 -6.160 13.519 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.249 -6.634 12.656 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.745 -6.445 12.779 1.00 0.00 C ATOM 0 H VAL A 132 127.038 -5.138 14.984 1.00 0.00 H new ATOM 0 HA VAL A 132 125.382 -4.072 12.877 1.00 0.00 H new ATOM 0 HB VAL A 132 125.413 -6.696 14.468 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.341 -7.704 12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.314 -6.437 13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.253 -6.097 11.707 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.825 -7.513 12.579 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.758 -5.897 11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.586 -6.127 13.395 1.00 0.00 H new ATOM 1647 N SER A 133 123.877 -4.487 15.749 1.00 0.00 N ATOM 1648 CA SER A 133 122.595 -4.174 16.456 1.00 0.00 C ATOM 1649 C SER A 133 122.237 -2.694 16.279 1.00 0.00 C ATOM 1650 O SER A 133 121.088 -2.348 16.083 1.00 0.00 O ATOM 1651 CB SER A 133 122.857 -4.488 17.929 1.00 0.00 C ATOM 1652 OG SER A 133 121.680 -4.227 18.680 1.00 0.00 O ATOM 0 H SER A 133 124.624 -4.840 16.346 1.00 0.00 H new ATOM 0 HA SER A 133 121.760 -4.753 16.061 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.152 -5.531 18.044 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.682 -3.881 18.301 1.00 0.00 H new ATOM 0 HG SER A 133 121.843 -4.429 19.625 1.00 0.00 H new ATOM 1658 N TYR A 134 123.213 -1.822 16.343 1.00 0.00 N ATOM 1659 CA TYR A 134 122.931 -0.361 16.175 1.00 0.00 C ATOM 1660 C TYR A 134 122.334 -0.107 14.787 1.00 0.00 C ATOM 1661 O TYR A 134 121.412 0.670 14.627 1.00 0.00 O ATOM 1662 CB TYR A 134 124.293 0.330 16.310 1.00 0.00 C ATOM 1663 CG TYR A 134 124.130 1.824 16.156 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.939 2.632 17.283 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.169 2.397 14.881 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.787 4.015 17.132 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.018 3.779 14.729 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.826 4.590 15.856 1.00 0.00 C ATOM 1669 OH TYR A 134 123.676 5.953 15.707 1.00 0.00 O ATOM 0 H TYR A 134 124.192 -2.058 16.504 1.00 0.00 H new ATOM 0 HA TYR A 134 122.217 0.012 16.909 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.732 0.102 17.281 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.980 -0.049 15.553 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.909 2.189 18.267 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.316 1.772 14.013 1.00 0.00 H new ATOM 0 HE1 TYR A 134 123.639 4.639 18.001 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.049 4.221 13.744 1.00 0.00 H new ATOM 0 HH TYR A 134 123.730 6.186 14.757 1.00 0.00 H new ATOM 1679 N LEU A 135 122.866 -0.758 13.788 1.00 0.00 N ATOM 1680 CA LEU A 135 122.356 -0.570 12.399 1.00 0.00 C ATOM 1681 C LEU A 135 121.231 -1.566 12.077 1.00 0.00 C ATOM 1682 O LEU A 135 120.577 -1.452 11.057 1.00 0.00 O ATOM 1683 CB LEU A 135 123.572 -0.835 11.510 1.00 0.00 C ATOM 1684 CG LEU A 135 123.223 -0.539 10.050 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.894 0.947 9.886 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.419 -0.891 9.162 1.00 0.00 C ATOM 0 H LEU A 135 123.639 -1.418 13.876 1.00 0.00 H new ATOM 0 HA LEU A 135 121.932 0.423 12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.408 -0.212 11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.890 -1.872 11.614 1.00 0.00 H new ATOM 0 HG LEU A 135 122.358 -1.135 9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.646 1.152 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.044 1.203 10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.757 1.545 10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.173 -0.681 8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.281 -0.294 9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.655 -1.949 9.273 1.00 0.00 H new ATOM 1698 N LYS A 136 121.005 -2.544 12.923 1.00 0.00 N ATOM 1699 CA LYS A 136 119.929 -3.543 12.640 1.00 0.00 C ATOM 1700 C LYS A 136 118.561 -2.863 12.592 1.00 0.00 C ATOM 1701 O LYS A 136 118.252 -2.006 13.398 1.00 0.00 O ATOM 1702 CB LYS A 136 119.997 -4.553 13.788 1.00 0.00 C ATOM 1703 CG LYS A 136 119.827 -5.967 13.228 1.00 0.00 C ATOM 1704 CD LYS A 136 120.418 -6.982 14.208 1.00 0.00 C ATOM 1705 CE LYS A 136 120.186 -8.399 13.679 1.00 0.00 C ATOM 1706 NZ LYS A 136 121.241 -9.229 14.328 1.00 0.00 N ATOM 0 H LYS A 136 121.517 -2.692 13.793 1.00 0.00 H new ATOM 0 HA LYS A 136 120.069 -4.026 11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.952 -4.467 14.307 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.217 -4.343 14.519 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.771 -6.179 13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.324 -6.048 12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 136 121.485 -6.801 14.336 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.955 -6.868 15.188 1.00 0.00 H new ATOM 0 HE2 LYS A 136 119.189 -8.758 13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.269 -8.434 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 121.148 -10.216 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 122.179 -8.868 14.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 121.133 -9.182 15.361 1.00 0.00 H new ATOM 1720 N GLY A 137 117.740 -3.245 11.646 1.00 0.00 N ATOM 1721 CA GLY A 137 116.385 -2.632 11.525 1.00 0.00 C ATOM 1722 C GLY A 137 116.454 -1.360 10.669 1.00 0.00 C ATOM 1723 O GLY A 137 115.584 -0.513 10.742 1.00 0.00 O ATOM 0 H GLY A 137 117.953 -3.959 10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.694 -3.345 11.075 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.996 -2.393 12.515 1.00 0.00 H new ATOM 1727 N SER A 138 117.478 -1.218 9.861 1.00 0.00 N ATOM 1728 CA SER A 138 117.597 0.000 9.003 1.00 0.00 C ATOM 1729 C SER A 138 117.638 -0.376 7.513 1.00 0.00 C ATOM 1730 O SER A 138 117.977 0.440 6.676 1.00 0.00 O ATOM 1731 CB SER A 138 118.912 0.653 9.424 1.00 0.00 C ATOM 1732 OG SER A 138 118.736 1.295 10.681 1.00 0.00 O ATOM 0 H SER A 138 118.235 -1.894 9.760 1.00 0.00 H new ATOM 0 HA SER A 138 116.744 0.667 9.129 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.699 -0.098 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.228 1.378 8.674 1.00 0.00 H new ATOM 0 HG SER A 138 119.579 1.714 10.955 1.00 0.00 H new ATOM 1738 N SER A 139 117.299 -1.599 7.172 1.00 0.00 N ATOM 1739 CA SER A 139 117.322 -2.014 5.732 1.00 0.00 C ATOM 1740 C SER A 139 116.373 -1.139 4.913 1.00 0.00 C ATOM 1741 O SER A 139 115.392 -0.629 5.422 1.00 0.00 O ATOM 1742 CB SER A 139 116.836 -3.461 5.718 1.00 0.00 C ATOM 1743 OG SER A 139 117.624 -4.231 6.611 1.00 0.00 O ATOM 0 H SER A 139 117.008 -2.325 7.827 1.00 0.00 H new ATOM 0 HA SER A 139 118.317 -1.911 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.787 -3.507 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.905 -3.870 4.710 1.00 0.00 H new ATOM 0 HG SER A 139 117.979 -5.015 6.142 1.00 0.00 H new ATOM 1749 N GLY A 140 116.659 -0.964 3.650 1.00 0.00 N ATOM 1750 CA GLY A 140 115.776 -0.125 2.789 1.00 0.00 C ATOM 1751 C GLY A 140 116.277 1.325 2.771 1.00 0.00 C ATOM 1752 O GLY A 140 115.913 2.097 1.904 1.00 0.00 O ATOM 0 H GLY A 140 117.468 -1.367 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.759 -0.524 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.753 -0.159 3.162 1.00 0.00 H new ATOM 1756 N GLY A 141 117.108 1.708 3.718 1.00 0.00 N ATOM 1757 CA GLY A 141 117.627 3.111 3.750 1.00 0.00 C ATOM 1758 C GLY A 141 118.355 3.422 2.430 1.00 0.00 C ATOM 1759 O GLY A 141 119.409 2.872 2.175 1.00 0.00 O ATOM 0 H GLY A 141 117.447 1.106 4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.804 3.811 3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.308 3.239 4.591 1.00 0.00 H new ATOM 1763 N PRO A 142 117.776 4.285 1.616 1.00 0.00 N ATOM 1764 CA PRO A 142 118.410 4.625 0.321 1.00 0.00 C ATOM 1765 C PRO A 142 119.592 5.577 0.523 1.00 0.00 C ATOM 1766 O PRO A 142 119.557 6.460 1.359 1.00 0.00 O ATOM 1767 CB PRO A 142 117.296 5.317 -0.459 1.00 0.00 C ATOM 1768 CG PRO A 142 116.374 5.872 0.580 1.00 0.00 C ATOM 1769 CD PRO A 142 116.508 5.011 1.811 1.00 0.00 C ATOM 0 HA PRO A 142 118.810 3.750 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.694 6.108 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.777 4.614 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.630 6.907 0.806 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.345 5.869 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.532 5.615 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.668 4.324 1.908 1.00 0.00 H new ATOM 1777 N LEU A 143 120.630 5.409 -0.256 1.00 0.00 N ATOM 1778 CA LEU A 143 121.816 6.304 -0.143 1.00 0.00 C ATOM 1779 C LEU A 143 121.696 7.422 -1.180 1.00 0.00 C ATOM 1780 O LEU A 143 121.407 7.169 -2.336 1.00 0.00 O ATOM 1781 CB LEU A 143 123.023 5.413 -0.446 1.00 0.00 C ATOM 1782 CG LEU A 143 123.443 4.669 0.822 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.591 3.409 0.982 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.918 4.275 0.714 1.00 0.00 C ATOM 0 H LEU A 143 120.705 4.684 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 143 121.904 6.770 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.773 4.700 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.851 6.018 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 143 123.299 5.316 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.891 2.879 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.540 3.688 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.734 2.761 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 143 125.220 3.744 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.059 3.628 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.527 5.172 0.600 1.00 0.00 H new ATOM 1796 N LEU A 144 121.897 8.650 -0.776 1.00 0.00 N ATOM 1797 CA LEU A 144 121.777 9.789 -1.735 1.00 0.00 C ATOM 1798 C LEU A 144 123.147 10.406 -2.027 1.00 0.00 C ATOM 1799 O LEU A 144 124.069 10.300 -1.239 1.00 0.00 O ATOM 1800 CB LEU A 144 120.875 10.801 -1.031 1.00 0.00 C ATOM 1801 CG LEU A 144 119.417 10.536 -1.406 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.967 9.205 -0.802 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.537 11.665 -0.862 1.00 0.00 C ATOM 0 H LEU A 144 122.140 8.914 0.179 1.00 0.00 H new ATOM 0 HA LEU A 144 121.372 9.470 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 144 121.002 10.727 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.156 11.815 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 144 119.324 10.492 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 144 117.927 9.017 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.593 8.400 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 144 119.060 9.248 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.497 11.477 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.631 11.709 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 144 118.856 12.614 -1.292 1.00 0.00 H new ATOM 1815 N CYS A 145 123.277 11.057 -3.154 1.00 0.00 N ATOM 1816 CA CYS A 145 124.575 11.699 -3.518 1.00 0.00 C ATOM 1817 C CYS A 145 124.469 13.221 -3.331 1.00 0.00 C ATOM 1818 O CYS A 145 123.410 13.724 -3.011 1.00 0.00 O ATOM 1819 CB CYS A 145 124.790 11.354 -5.000 1.00 0.00 C ATOM 1820 SG CYS A 145 126.152 10.172 -5.177 1.00 0.00 S ATOM 0 H CYS A 145 122.534 11.172 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 145 125.401 11.351 -2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 145 123.876 10.932 -5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.010 12.261 -5.564 1.00 0.00 H new ATOM 0 HG CYS A 145 126.737 10.353 -6.324 1.00 0.00 H new ATOM 1825 N PRO A 146 125.566 13.917 -3.540 1.00 0.00 N ATOM 1826 CA PRO A 146 125.556 15.393 -3.390 1.00 0.00 C ATOM 1827 C PRO A 146 124.778 16.038 -4.542 1.00 0.00 C ATOM 1828 O PRO A 146 124.226 17.114 -4.404 1.00 0.00 O ATOM 1829 CB PRO A 146 127.032 15.775 -3.446 1.00 0.00 C ATOM 1830 CG PRO A 146 127.689 14.667 -4.205 1.00 0.00 C ATOM 1831 CD PRO A 146 126.896 13.416 -3.929 1.00 0.00 C ATOM 0 HA PRO A 146 125.074 15.727 -2.471 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.173 16.734 -3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.453 15.872 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.704 14.887 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.725 14.545 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 146 126.840 12.776 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.348 12.824 -3.133 1.00 0.00 H new ATOM 1839 N SER A 147 124.730 15.384 -5.677 1.00 0.00 N ATOM 1840 CA SER A 147 123.987 15.952 -6.844 1.00 0.00 C ATOM 1841 C SER A 147 122.482 15.950 -6.560 1.00 0.00 C ATOM 1842 O SER A 147 121.753 16.801 -7.033 1.00 0.00 O ATOM 1843 CB SER A 147 124.312 15.025 -8.017 1.00 0.00 C ATOM 1844 OG SER A 147 124.390 15.790 -9.213 1.00 0.00 O ATOM 0 H SER A 147 125.174 14.481 -5.845 1.00 0.00 H new ATOM 0 HA SER A 147 124.273 16.983 -7.052 1.00 0.00 H new ATOM 0 HB2 SER A 147 125.256 14.511 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 147 123.544 14.257 -8.112 1.00 0.00 H new ATOM 0 HG SER A 147 124.600 15.199 -9.966 1.00 0.00 H new ATOM 1850 N GLY A 148 122.017 15.000 -5.787 1.00 0.00 N ATOM 1851 CA GLY A 148 120.560 14.936 -5.462 1.00 0.00 C ATOM 1852 C GLY A 148 119.944 13.666 -6.057 1.00 0.00 C ATOM 1853 O GLY A 148 118.766 13.623 -6.356 1.00 0.00 O ATOM 0 H GLY A 148 122.586 14.265 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.420 14.946 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.052 15.816 -5.857 1.00 0.00 H new ATOM 1857 N HIS A 149 120.729 12.630 -6.225 1.00 0.00 N ATOM 1858 CA HIS A 149 120.190 11.358 -6.795 1.00 0.00 C ATOM 1859 C HIS A 149 120.542 10.179 -5.884 1.00 0.00 C ATOM 1860 O HIS A 149 121.575 10.168 -5.242 1.00 0.00 O ATOM 1861 CB HIS A 149 120.874 11.209 -8.154 1.00 0.00 C ATOM 1862 CG HIS A 149 120.457 12.338 -9.057 1.00 0.00 C ATOM 1863 ND1 HIS A 149 119.308 13.085 -9.121 1.00 0.00 N flip ATOM 1864 CD2 HIS A 149 121.282 12.826 -10.059 1.00 0.00 C flip ATOM 1865 CE1 HIS A 149 119.414 14.022 -10.145 1.00 0.00 C flip ATOM 1866 NE2 HIS A 149 120.623 13.823 -10.677 1.00 0.00 N flip ATOM 0 H HIS A 149 121.722 12.611 -5.991 1.00 0.00 H new ATOM 0 HA HIS A 149 119.104 11.375 -6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 149 121.957 11.211 -8.029 1.00 0.00 H new ATOM 0 HB3 HIS A 149 120.607 10.253 -8.604 1.00 0.00 H new ATOM 0 HD1 HIS A 149 118.499 12.971 -8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 149 122.273 12.471 -10.300 1.00 0.00 H new ATOM 0 HE1 HIS A 149 118.677 14.753 -10.445 1.00 0.00 H new ATOM 1874 N ALA A 150 119.688 9.188 -5.822 1.00 0.00 N ATOM 1875 CA ALA A 150 119.962 8.004 -4.950 1.00 0.00 C ATOM 1876 C ALA A 150 120.872 7.007 -5.678 1.00 0.00 C ATOM 1877 O ALA A 150 120.665 6.696 -6.835 1.00 0.00 O ATOM 1878 CB ALA A 150 118.589 7.381 -4.678 1.00 0.00 C ATOM 0 H ALA A 150 118.810 9.148 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 150 120.471 8.282 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.707 6.504 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.952 8.109 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.130 7.086 -5.622 1.00 0.00 H new ATOM 1884 N VAL A 151 121.880 6.510 -5.003 1.00 0.00 N ATOM 1885 CA VAL A 151 122.811 5.535 -5.649 1.00 0.00 C ATOM 1886 C VAL A 151 122.335 4.093 -5.424 1.00 0.00 C ATOM 1887 O VAL A 151 122.680 3.202 -6.178 1.00 0.00 O ATOM 1888 CB VAL A 151 124.178 5.771 -4.993 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.630 7.205 -5.269 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.087 5.554 -3.477 1.00 0.00 C ATOM 0 H VAL A 151 122.097 6.738 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 151 122.856 5.678 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 151 124.896 5.065 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.601 7.376 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.710 7.361 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.902 7.902 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.064 5.725 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.364 6.251 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.768 4.532 -3.274 1.00 0.00 H new ATOM 1900 N GLY A 152 121.547 3.853 -4.400 1.00 0.00 N ATOM 1901 CA GLY A 152 121.059 2.460 -4.147 1.00 0.00 C ATOM 1902 C GLY A 152 120.421 2.361 -2.758 1.00 0.00 C ATOM 1903 O GLY A 152 120.084 3.354 -2.147 1.00 0.00 O ATOM 0 H GLY A 152 121.224 4.556 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.332 2.179 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 152 121.889 1.758 -4.224 1.00 0.00 H new ATOM 1907 N ILE A 153 120.250 1.158 -2.264 1.00 0.00 N ATOM 1908 CA ILE A 153 119.629 0.968 -0.916 1.00 0.00 C ATOM 1909 C ILE A 153 120.499 0.031 -0.065 1.00 0.00 C ATOM 1910 O ILE A 153 121.253 -0.769 -0.586 1.00 0.00 O ATOM 1911 CB ILE A 153 118.263 0.331 -1.199 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.413 1.290 -2.035 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.539 0.043 0.119 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.235 0.529 -2.645 1.00 0.00 C ATOM 0 H ILE A 153 120.516 0.296 -2.740 1.00 0.00 H new ATOM 0 HA ILE A 153 119.535 1.903 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 153 118.413 -0.601 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.048 2.107 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.019 1.736 -2.824 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.570 -0.409 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.137 -0.642 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.394 0.975 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.630 1.212 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.610 -0.272 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.625 0.104 -1.848 1.00 0.00 H new ATOM 1926 N PHE A 154 120.393 0.124 1.240 1.00 0.00 N ATOM 1927 CA PHE A 154 121.209 -0.765 2.126 1.00 0.00 C ATOM 1928 C PHE A 154 120.735 -2.213 1.990 1.00 0.00 C ATOM 1929 O PHE A 154 119.548 -2.488 1.989 1.00 0.00 O ATOM 1930 CB PHE A 154 120.972 -0.251 3.551 1.00 0.00 C ATOM 1931 CG PHE A 154 121.945 -0.909 4.509 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.313 -0.973 4.198 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.479 -1.450 5.714 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.208 -1.578 5.091 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.376 -2.054 6.604 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.739 -2.118 6.293 1.00 0.00 C ATOM 0 H PHE A 154 119.778 0.775 1.728 1.00 0.00 H new ATOM 0 HA PHE A 154 122.267 -0.747 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.096 0.832 3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.948 -0.464 3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.676 -0.556 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.428 -1.401 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.260 -1.627 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.015 -2.471 7.532 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.429 -2.584 6.981 1.00 0.00 H new ATOM 1946 N ARG A 155 121.653 -3.138 1.864 1.00 0.00 N ATOM 1947 CA ARG A 155 121.264 -4.572 1.712 1.00 0.00 C ATOM 1948 C ARG A 155 121.719 -5.396 2.921 1.00 0.00 C ATOM 1949 O ARG A 155 120.909 -5.934 3.654 1.00 0.00 O ATOM 1950 CB ARG A 155 121.986 -5.038 0.449 1.00 0.00 C ATOM 1951 CG ARG A 155 121.574 -6.474 0.124 1.00 0.00 C ATOM 1952 CD ARG A 155 122.353 -6.962 -1.100 1.00 0.00 C ATOM 1953 NE ARG A 155 123.733 -7.254 -0.596 1.00 0.00 N ATOM 1954 CZ ARG A 155 124.731 -7.484 -1.425 1.00 0.00 C ATOM 1955 NH1 ARG A 155 124.613 -7.277 -2.716 1.00 0.00 N ATOM 1956 NH2 ARG A 155 125.864 -7.927 -0.952 1.00 0.00 N ATOM 0 H ARG A 155 122.657 -2.961 1.860 1.00 0.00 H new ATOM 0 HA ARG A 155 120.183 -4.695 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.741 -4.381 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.065 -4.982 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.772 -7.123 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.503 -6.521 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 155 121.894 -7.852 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 155 122.372 -6.204 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 155 123.904 -7.275 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 155 123.733 -6.930 -3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 155 125.401 -7.463 -3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 155 125.969 -8.091 0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 155 126.644 -8.109 -1.584 1.00 0.00 H new ATOM 1970 N ALA A 156 123.009 -5.514 3.124 1.00 0.00 N ATOM 1971 CA ALA A 156 123.518 -6.322 4.273 1.00 0.00 C ATOM 1972 C ALA A 156 124.657 -5.594 4.994 1.00 0.00 C ATOM 1973 O ALA A 156 125.409 -4.849 4.395 1.00 0.00 O ATOM 1974 CB ALA A 156 124.030 -7.619 3.639 1.00 0.00 C ATOM 0 H ALA A 156 123.730 -5.085 2.543 1.00 0.00 H new ATOM 0 HA ALA A 156 122.745 -6.500 5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.424 -8.274 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.211 -8.120 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.821 -7.388 2.925 1.00 0.00 H new ATOM 1980 N ALA A 157 124.791 -5.820 6.277 1.00 0.00 N ATOM 1981 CA ALA A 157 125.885 -5.160 7.053 1.00 0.00 C ATOM 1982 C ALA A 157 127.088 -6.104 7.163 1.00 0.00 C ATOM 1983 O ALA A 157 126.959 -7.233 7.584 1.00 0.00 O ATOM 1984 CB ALA A 157 125.286 -4.888 8.434 1.00 0.00 C ATOM 0 H ALA A 157 124.187 -6.436 6.822 1.00 0.00 H new ATOM 0 HA ALA A 157 126.238 -4.244 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 157 126.031 -4.403 9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.417 -4.237 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.982 -5.830 8.891 1.00 0.00 H new ATOM 1990 N VAL A 158 128.253 -5.644 6.777 1.00 0.00 N ATOM 1991 CA VAL A 158 129.472 -6.513 6.841 1.00 0.00 C ATOM 1992 C VAL A 158 130.245 -6.256 8.138 1.00 0.00 C ATOM 1993 O VAL A 158 130.722 -5.164 8.374 1.00 0.00 O ATOM 1994 CB VAL A 158 130.325 -6.097 5.633 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.570 -6.993 5.542 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.502 -6.231 4.345 1.00 0.00 C ATOM 0 H VAL A 158 128.414 -4.702 6.419 1.00 0.00 H new ATOM 0 HA VAL A 158 129.216 -7.572 6.823 1.00 0.00 H new ATOM 0 HB VAL A 158 130.635 -5.059 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.172 -6.694 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 158 132.160 -6.889 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 158 131.263 -8.032 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.112 -5.935 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.184 -7.266 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.625 -5.587 4.405 1.00 0.00 H new ATOM 2006 N CYS A 159 130.380 -7.258 8.975 1.00 0.00 N ATOM 2007 CA CYS A 159 131.132 -7.073 10.256 1.00 0.00 C ATOM 2008 C CYS A 159 131.994 -8.306 10.560 1.00 0.00 C ATOM 2009 O CYS A 159 131.611 -9.426 10.277 1.00 0.00 O ATOM 2010 CB CYS A 159 130.056 -6.878 11.334 1.00 0.00 C ATOM 2011 SG CYS A 159 128.962 -8.323 11.407 1.00 0.00 S ATOM 0 H CYS A 159 130.002 -8.194 8.826 1.00 0.00 H new ATOM 0 HA CYS A 159 131.813 -6.223 10.209 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.528 -6.723 12.304 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.473 -5.983 11.117 1.00 0.00 H new ATOM 0 HG CYS A 159 129.604 -9.374 10.991 1.00 0.00 H new ATOM 2017 N THR A 160 133.151 -8.103 11.140 1.00 0.00 N ATOM 2018 CA THR A 160 134.043 -9.256 11.474 1.00 0.00 C ATOM 2019 C THR A 160 133.485 -10.020 12.680 1.00 0.00 C ATOM 2020 O THR A 160 133.350 -11.229 12.651 1.00 0.00 O ATOM 2021 CB THR A 160 135.400 -8.627 11.811 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.870 -7.895 10.689 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.410 -9.725 12.162 1.00 0.00 C ATOM 0 H THR A 160 133.517 -7.186 11.397 1.00 0.00 H new ATOM 0 HA THR A 160 134.122 -9.970 10.655 1.00 0.00 H new ATOM 0 HB THR A 160 135.285 -7.959 12.665 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.737 -7.490 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.372 -9.272 12.400 1.00 0.00 H new ATOM 0 HG22 THR A 160 136.051 -10.288 13.023 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.526 -10.397 11.312 1.00 0.00 H new ATOM 2031 N ARG A 161 133.162 -9.319 13.737 1.00 0.00 N ATOM 2032 CA ARG A 161 132.610 -9.993 14.953 1.00 0.00 C ATOM 2033 C ARG A 161 131.471 -9.158 15.547 1.00 0.00 C ATOM 2034 O ARG A 161 131.450 -8.872 16.729 1.00 0.00 O ATOM 2035 CB ARG A 161 133.784 -10.084 15.936 1.00 0.00 C ATOM 2036 CG ARG A 161 134.338 -8.684 16.231 1.00 0.00 C ATOM 2037 CD ARG A 161 134.670 -8.564 17.722 1.00 0.00 C ATOM 2038 NE ARG A 161 135.978 -9.270 17.895 1.00 0.00 N ATOM 2039 CZ ARG A 161 136.450 -9.553 19.093 1.00 0.00 C ATOM 2040 NH1 ARG A 161 135.902 -9.059 20.179 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.487 -10.339 19.201 1.00 0.00 N ATOM 0 H ARG A 161 133.257 -8.306 13.811 1.00 0.00 H new ATOM 0 HA ARG A 161 132.199 -10.977 14.726 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.456 -10.556 16.862 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.570 -10.713 15.518 1.00 0.00 H new ATOM 0 HG2 ARG A 161 135.232 -8.503 15.634 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.607 -7.926 15.949 1.00 0.00 H new ATOM 0 HD2 ARG A 161 134.744 -7.520 18.025 1.00 0.00 H new ATOM 0 HD3 ARG A 161 133.893 -9.020 18.336 1.00 0.00 H new ATOM 0 HE ARG A 161 136.515 -9.537 17.070 1.00 0.00 H new ATOM 0 HH11 ARG A 161 135.093 -8.442 20.107 1.00 0.00 H new ATOM 0 HH12 ARG A 161 136.285 -9.292 21.095 1.00 0.00 H new ATOM 0 HH21 ARG A 161 137.923 -10.727 18.364 1.00 0.00 H new ATOM 0 HH22 ARG A 161 137.862 -10.565 20.122 1.00 0.00 H new ATOM 2055 N GLY A 162 130.529 -8.763 14.730 1.00 0.00 N ATOM 2056 CA GLY A 162 129.387 -7.943 15.231 1.00 0.00 C ATOM 2057 C GLY A 162 129.657 -6.450 14.986 1.00 0.00 C ATOM 2058 O GLY A 162 128.768 -5.632 15.119 1.00 0.00 O ATOM 0 H GLY A 162 130.502 -8.975 13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.467 -8.241 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.240 -8.123 16.296 1.00 0.00 H new ATOM 2062 N VAL A 163 130.866 -6.089 14.616 1.00 0.00 N ATOM 2063 CA VAL A 163 131.176 -4.650 14.351 1.00 0.00 C ATOM 2064 C VAL A 163 131.201 -4.412 12.840 1.00 0.00 C ATOM 2065 O VAL A 163 131.949 -5.045 12.118 1.00 0.00 O ATOM 2066 CB VAL A 163 132.560 -4.415 14.963 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.977 -2.958 14.747 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.512 -4.707 16.466 1.00 0.00 C ATOM 0 H VAL A 163 131.649 -6.730 14.487 1.00 0.00 H new ATOM 0 HA VAL A 163 130.436 -3.972 14.777 1.00 0.00 H new ATOM 0 HB VAL A 163 133.281 -5.077 14.484 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.962 -2.793 15.183 1.00 0.00 H new ATOM 0 HG12 VAL A 163 133.013 -2.744 13.679 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.253 -2.298 15.225 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.497 -4.540 16.901 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.788 -4.046 16.942 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.216 -5.744 16.626 1.00 0.00 H new ATOM 2078 N ALA A 164 130.378 -3.518 12.357 1.00 0.00 N ATOM 2079 CA ALA A 164 130.336 -3.257 10.889 1.00 0.00 C ATOM 2080 C ALA A 164 131.369 -2.203 10.488 1.00 0.00 C ATOM 2081 O ALA A 164 131.316 -1.067 10.920 1.00 0.00 O ATOM 2082 CB ALA A 164 128.921 -2.747 10.619 1.00 0.00 C ATOM 0 H ALA A 164 129.734 -2.958 12.916 1.00 0.00 H new ATOM 0 HA ALA A 164 130.571 -4.152 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.809 -2.531 9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.198 -3.508 10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.746 -1.838 11.194 1.00 0.00 H new ATOM 2088 N LYS A 165 132.299 -2.576 9.646 1.00 0.00 N ATOM 2089 CA LYS A 165 133.336 -1.609 9.183 1.00 0.00 C ATOM 2090 C LYS A 165 133.008 -1.144 7.761 1.00 0.00 C ATOM 2091 O LYS A 165 133.389 -0.065 7.349 1.00 0.00 O ATOM 2092 CB LYS A 165 134.653 -2.388 9.207 1.00 0.00 C ATOM 2093 CG LYS A 165 134.955 -2.841 10.637 1.00 0.00 C ATOM 2094 CD LYS A 165 136.271 -3.620 10.660 1.00 0.00 C ATOM 2095 CE LYS A 165 136.570 -4.081 12.089 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.064 -2.865 12.794 1.00 0.00 N ATOM 0 H LYS A 165 132.384 -3.515 9.258 1.00 0.00 H new ATOM 0 HA LYS A 165 133.387 -0.719 9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.588 -3.253 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.464 -1.763 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.021 -1.976 11.297 1.00 0.00 H new ATOM 0 HG3 LYS A 165 134.144 -3.466 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.207 -4.481 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 165 137.083 -2.993 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 165 135.677 -4.480 12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 165 137.318 -4.874 12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 138.053 -3.008 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.005 -2.046 12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 136.480 -2.691 13.637 1.00 0.00 H new ATOM 2110 N ALA A 166 132.299 -1.953 7.013 1.00 0.00 N ATOM 2111 CA ALA A 166 131.930 -1.571 5.618 1.00 0.00 C ATOM 2112 C ALA A 166 130.458 -1.902 5.362 1.00 0.00 C ATOM 2113 O ALA A 166 129.827 -2.592 6.141 1.00 0.00 O ATOM 2114 CB ALA A 166 132.837 -2.412 4.719 1.00 0.00 C ATOM 0 H ALA A 166 131.959 -2.867 7.312 1.00 0.00 H new ATOM 0 HA ALA A 166 132.057 -0.505 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.624 -2.186 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.880 -2.180 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.654 -3.470 4.906 1.00 0.00 H new ATOM 2120 N VAL A 167 129.906 -1.410 4.283 1.00 0.00 N ATOM 2121 CA VAL A 167 128.469 -1.689 3.978 1.00 0.00 C ATOM 2122 C VAL A 167 128.296 -2.102 2.512 1.00 0.00 C ATOM 2123 O VAL A 167 128.918 -1.550 1.624 1.00 0.00 O ATOM 2124 CB VAL A 167 127.735 -0.373 4.260 1.00 0.00 C ATOM 2125 CG1 VAL A 167 127.902 -0.003 5.736 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.313 0.748 3.389 1.00 0.00 C ATOM 0 H VAL A 167 130.388 -0.827 3.599 1.00 0.00 H new ATOM 0 HA VAL A 167 128.078 -2.510 4.580 1.00 0.00 H new ATOM 0 HB VAL A 167 126.677 -0.499 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.381 0.933 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.483 -0.793 6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 167 128.961 0.116 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 167 127.785 1.679 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.372 0.874 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.193 0.490 2.337 1.00 0.00 H new ATOM 2136 N ASP A 168 127.449 -3.067 2.259 1.00 0.00 N ATOM 2137 CA ASP A 168 127.218 -3.525 0.857 1.00 0.00 C ATOM 2138 C ASP A 168 125.809 -3.127 0.405 1.00 0.00 C ATOM 2139 O ASP A 168 124.840 -3.360 1.101 1.00 0.00 O ATOM 2140 CB ASP A 168 127.354 -5.046 0.912 1.00 0.00 C ATOM 2141 CG ASP A 168 127.504 -5.597 -0.507 1.00 0.00 C ATOM 2142 OD1 ASP A 168 126.571 -5.452 -1.280 1.00 0.00 O ATOM 2143 OD2 ASP A 168 128.550 -6.154 -0.798 1.00 0.00 O ATOM 0 H ASP A 168 126.905 -3.559 2.968 1.00 0.00 H new ATOM 0 HA ASP A 168 127.919 -3.080 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.219 -5.323 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.478 -5.483 1.392 1.00 0.00 H new ATOM 2148 N PHE A 169 125.692 -2.528 -0.753 1.00 0.00 N ATOM 2149 CA PHE A 169 124.345 -2.108 -1.251 1.00 0.00 C ATOM 2150 C PHE A 169 124.218 -2.376 -2.755 1.00 0.00 C ATOM 2151 O PHE A 169 125.202 -2.480 -3.463 1.00 0.00 O ATOM 2152 CB PHE A 169 124.259 -0.604 -0.955 1.00 0.00 C ATOM 2153 CG PHE A 169 125.372 0.133 -1.666 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.159 0.656 -2.948 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.617 0.292 -1.045 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.190 1.337 -3.607 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.647 0.974 -1.704 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.433 1.496 -2.985 1.00 0.00 C ATOM 0 H PHE A 169 126.470 -2.311 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 169 123.540 -2.662 -0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.293 -0.217 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.328 -0.433 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.199 0.534 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.783 -0.112 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.026 1.740 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.607 1.097 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.228 2.022 -3.493 1.00 0.00 H new ATOM 2168 N VAL A 170 123.008 -2.483 -3.243 1.00 0.00 N ATOM 2169 CA VAL A 170 122.798 -2.740 -4.700 1.00 0.00 C ATOM 2170 C VAL A 170 122.567 -1.406 -5.435 1.00 0.00 C ATOM 2171 O VAL A 170 121.816 -0.575 -4.962 1.00 0.00 O ATOM 2172 CB VAL A 170 121.547 -3.623 -4.774 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.234 -3.952 -6.235 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.793 -4.925 -4.005 1.00 0.00 C ATOM 0 H VAL A 170 122.153 -2.403 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 170 123.657 -3.221 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 170 120.705 -3.090 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.344 -4.580 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 170 121.057 -3.028 -6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.077 -4.483 -6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.903 -5.552 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.637 -5.454 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 170 122.014 -4.696 -2.963 1.00 0.00 H new ATOM 2184 N PRO A 171 123.217 -1.229 -6.568 1.00 0.00 N ATOM 2185 CA PRO A 171 123.052 0.033 -7.334 1.00 0.00 C ATOM 2186 C PRO A 171 121.669 0.093 -7.991 1.00 0.00 C ATOM 2187 O PRO A 171 121.058 -0.921 -8.271 1.00 0.00 O ATOM 2188 CB PRO A 171 124.153 -0.036 -8.390 1.00 0.00 C ATOM 2189 CG PRO A 171 124.435 -1.493 -8.560 1.00 0.00 C ATOM 2190 CD PRO A 171 124.145 -2.156 -7.239 1.00 0.00 C ATOM 0 HA PRO A 171 123.125 0.921 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.829 0.415 -9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.044 0.503 -8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.813 -1.917 -9.349 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.473 -1.653 -8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.696 -3.140 -7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.055 -2.300 -6.657 1.00 0.00 H new ATOM 2198 N VAL A 172 121.178 1.281 -8.238 1.00 0.00 N ATOM 2199 CA VAL A 172 119.834 1.434 -8.881 1.00 0.00 C ATOM 2200 C VAL A 172 119.830 0.761 -10.256 1.00 0.00 C ATOM 2201 O VAL A 172 118.856 0.156 -10.662 1.00 0.00 O ATOM 2202 CB VAL A 172 119.632 2.946 -9.035 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.275 3.228 -9.687 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.679 3.615 -7.658 1.00 0.00 C ATOM 0 H VAL A 172 121.652 2.158 -8.021 1.00 0.00 H new ATOM 0 HA VAL A 172 119.042 0.973 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 172 120.426 3.347 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.139 4.304 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.239 2.759 -10.670 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.480 2.822 -9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.535 4.690 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.888 3.207 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.647 3.425 -7.194 1.00 0.00 H new ATOM 2214 N GLU A 173 120.912 0.882 -10.977 1.00 0.00 N ATOM 2215 CA GLU A 173 120.992 0.274 -12.341 1.00 0.00 C ATOM 2216 C GLU A 173 120.731 -1.235 -12.279 1.00 0.00 C ATOM 2217 O GLU A 173 120.156 -1.809 -13.184 1.00 0.00 O ATOM 2218 CB GLU A 173 122.419 0.553 -12.815 1.00 0.00 C ATOM 2219 CG GLU A 173 122.583 2.046 -13.094 1.00 0.00 C ATOM 2220 CD GLU A 173 124.058 2.359 -13.351 1.00 0.00 C ATOM 2221 OE1 GLU A 173 124.480 2.238 -14.490 1.00 0.00 O ATOM 2222 OE2 GLU A 173 124.742 2.713 -12.404 1.00 0.00 O ATOM 0 H GLU A 173 121.751 1.379 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 173 120.245 0.690 -13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.134 0.234 -12.057 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.633 -0.021 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 173 121.984 2.333 -13.958 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.219 2.627 -12.246 1.00 0.00 H new ATOM 2229 N SER A 174 121.147 -1.877 -11.217 1.00 0.00 N ATOM 2230 CA SER A 174 120.920 -3.353 -11.093 1.00 0.00 C ATOM 2231 C SER A 174 119.418 -3.653 -11.094 1.00 0.00 C ATOM 2232 O SER A 174 118.968 -4.613 -11.689 1.00 0.00 O ATOM 2233 CB SER A 174 121.543 -3.746 -9.753 1.00 0.00 C ATOM 2234 OG SER A 174 121.375 -5.143 -9.550 1.00 0.00 O ATOM 0 H SER A 174 121.633 -1.446 -10.431 1.00 0.00 H new ATOM 0 HA SER A 174 121.360 -3.909 -11.921 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.602 -3.490 -9.742 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.072 -3.190 -8.943 1.00 0.00 H new ATOM 0 HG SER A 174 121.774 -5.399 -8.693 1.00 0.00 H new ATOM 2240 N MET A 175 118.645 -2.835 -10.427 1.00 0.00 N ATOM 2241 CA MET A 175 117.164 -3.058 -10.378 1.00 0.00 C ATOM 2242 C MET A 175 116.573 -3.023 -11.792 1.00 0.00 C ATOM 2243 O MET A 175 115.678 -3.780 -12.118 1.00 0.00 O ATOM 2244 CB MET A 175 116.612 -1.900 -9.545 1.00 0.00 C ATOM 2245 CG MET A 175 117.031 -2.072 -8.084 1.00 0.00 C ATOM 2246 SD MET A 175 116.587 -0.586 -7.152 1.00 0.00 S ATOM 2247 CE MET A 175 117.501 -0.983 -5.642 1.00 0.00 C ATOM 0 H MET A 175 118.975 -2.019 -9.912 1.00 0.00 H new ATOM 0 HA MET A 175 116.911 -4.028 -9.949 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.985 -0.951 -9.931 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.525 -1.870 -9.621 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.540 -2.945 -7.654 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.105 -2.247 -8.020 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.806 -0.060 -5.148 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.864 -1.560 -4.972 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.385 -1.568 -5.895 1.00 0.00 H new ATOM 2257 N GLU A 176 117.064 -2.142 -12.624 1.00 0.00 N ATOM 2258 CA GLU A 176 116.532 -2.038 -14.020 1.00 0.00 C ATOM 2259 C GLU A 176 116.719 -3.361 -14.767 1.00 0.00 C ATOM 2260 O GLU A 176 115.917 -3.724 -15.606 1.00 0.00 O ATOM 2261 CB GLU A 176 117.351 -0.925 -14.681 1.00 0.00 C ATOM 2262 CG GLU A 176 116.831 -0.680 -16.103 1.00 0.00 C ATOM 2263 CD GLU A 176 117.580 0.496 -16.749 1.00 0.00 C ATOM 2264 OE1 GLU A 176 118.311 1.180 -16.048 1.00 0.00 O ATOM 2265 OE2 GLU A 176 117.407 0.691 -17.941 1.00 0.00 O ATOM 0 H GLU A 176 117.813 -1.487 -12.398 1.00 0.00 H new ATOM 0 HA GLU A 176 115.464 -1.819 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.280 -0.009 -14.094 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.404 -1.203 -14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 176 116.962 -1.579 -16.706 1.00 0.00 H new ATOM 0 HG3 GLU A 176 115.762 -0.468 -16.075 1.00 0.00 H new ATOM 2272 N THR A 177 117.775 -4.078 -14.476 1.00 0.00 N ATOM 2273 CA THR A 177 118.020 -5.379 -15.176 1.00 0.00 C ATOM 2274 C THR A 177 116.855 -6.347 -14.928 1.00 0.00 C ATOM 2275 O THR A 177 116.433 -7.059 -15.820 1.00 0.00 O ATOM 2276 CB THR A 177 119.317 -5.925 -14.566 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.369 -4.999 -14.794 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.672 -7.266 -15.214 1.00 0.00 C ATOM 0 H THR A 177 118.479 -3.820 -13.784 1.00 0.00 H new ATOM 0 HA THR A 177 118.101 -5.255 -16.256 1.00 0.00 H new ATOM 0 HB THR A 177 119.178 -6.069 -13.495 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.199 -5.344 -14.404 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.594 -7.649 -14.777 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.865 -7.978 -15.041 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.810 -7.127 -16.286 1.00 0.00 H new ATOM 2286 N THR A 178 116.336 -6.376 -13.726 1.00 0.00 N ATOM 2287 CA THR A 178 115.197 -7.299 -13.420 1.00 0.00 C ATOM 2288 C THR A 178 113.976 -6.927 -14.267 1.00 0.00 C ATOM 2289 O THR A 178 113.372 -7.770 -14.903 1.00 0.00 O ATOM 2290 CB THR A 178 114.903 -7.096 -11.929 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.063 -7.418 -11.174 1.00 0.00 O ATOM 2292 CG2 THR A 178 113.751 -8.008 -11.499 1.00 0.00 C ATOM 0 H THR A 178 116.650 -5.802 -12.944 1.00 0.00 H new ATOM 0 HA THR A 178 115.436 -8.338 -13.646 1.00 0.00 H new ATOM 0 HB THR A 178 114.625 -6.057 -11.755 1.00 0.00 H new ATOM 0 HG1 THR A 178 115.838 -7.435 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 178 113.546 -7.860 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 178 112.860 -7.766 -12.078 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.026 -9.048 -11.674 1.00 0.00 H new ATOM 2300 N MET A 179 113.610 -5.670 -14.276 1.00 0.00 N ATOM 2301 CA MET A 179 112.425 -5.234 -15.080 1.00 0.00 C ATOM 2302 C MET A 179 112.696 -5.432 -16.572 1.00 0.00 C ATOM 2303 O MET A 179 111.808 -5.773 -17.332 1.00 0.00 O ATOM 2304 CB MET A 179 112.240 -3.749 -14.760 1.00 0.00 C ATOM 2305 CG MET A 179 111.749 -3.595 -13.319 1.00 0.00 C ATOM 2306 SD MET A 179 111.524 -1.839 -12.940 1.00 0.00 S ATOM 2307 CE MET A 179 113.274 -1.383 -12.926 1.00 0.00 C ATOM 0 H MET A 179 114.080 -4.925 -13.761 1.00 0.00 H new ATOM 0 HA MET A 179 111.533 -5.812 -14.839 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.182 -3.217 -14.893 1.00 0.00 H new ATOM 0 HB3 MET A 179 111.523 -3.304 -15.449 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.809 -4.130 -13.185 1.00 0.00 H new ATOM 0 HG3 MET A 179 112.468 -4.037 -12.630 1.00 0.00 H new ATOM 0 HE1 MET A 179 113.457 -0.669 -12.123 1.00 0.00 H new ATOM 0 HE2 MET A 179 113.881 -2.274 -12.765 1.00 0.00 H new ATOM 0 HE3 MET A 179 113.540 -0.931 -13.882 1.00 0.00 H new ATOM 2317 N ARG A 180 113.917 -5.218 -16.997 1.00 0.00 N ATOM 2318 CA ARG A 180 114.253 -5.389 -18.446 1.00 0.00 C ATOM 2319 C ARG A 180 113.971 -6.830 -18.887 1.00 0.00 C ATOM 2320 O ARG A 180 113.474 -7.069 -19.971 1.00 0.00 O ATOM 2321 CB ARG A 180 115.749 -5.078 -18.551 1.00 0.00 C ATOM 2322 CG ARG A 180 116.191 -5.170 -20.013 1.00 0.00 C ATOM 2323 CD ARG A 180 115.589 -4.003 -20.801 1.00 0.00 C ATOM 2324 NE ARG A 180 116.075 -4.180 -22.200 1.00 0.00 N ATOM 2325 CZ ARG A 180 115.583 -3.442 -23.158 1.00 0.00 C ATOM 2326 NH1 ARG A 180 114.876 -3.991 -24.108 1.00 0.00 N ATOM 2327 NH2 ARG A 180 115.799 -2.155 -23.166 1.00 0.00 N ATOM 0 H ARG A 180 114.696 -4.932 -16.404 1.00 0.00 H new ATOM 0 HA ARG A 180 113.658 -4.737 -19.086 1.00 0.00 H new ATOM 0 HB2 ARG A 180 115.952 -4.080 -18.161 1.00 0.00 H new ATOM 0 HB3 ARG A 180 116.320 -5.780 -17.943 1.00 0.00 H new ATOM 0 HG2 ARG A 180 117.279 -5.144 -20.078 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.868 -6.118 -20.443 1.00 0.00 H new ATOM 0 HD2 ARG A 180 114.500 -4.020 -20.758 1.00 0.00 H new ATOM 0 HD3 ARG A 180 115.910 -3.045 -20.392 1.00 0.00 H new ATOM 0 HE ARG A 180 116.791 -4.876 -22.408 1.00 0.00 H new ATOM 0 HH11 ARG A 180 114.708 -4.997 -24.102 1.00 0.00 H new ATOM 0 HH12 ARG A 180 114.492 -3.414 -24.856 1.00 0.00 H new ATOM 0 HH21 ARG A 180 116.352 -1.726 -22.424 1.00 0.00 H new ATOM 0 HH22 ARG A 180 115.415 -1.578 -23.914 1.00 0.00 H new ATOM 2341 N ALA A 181 114.286 -7.787 -18.050 1.00 0.00 N ATOM 2342 CA ALA A 181 114.037 -9.217 -18.411 1.00 0.00 C ATOM 2343 C ALA A 181 112.559 -9.561 -18.213 1.00 0.00 C ATOM 2344 O ALA A 181 112.172 -10.713 -18.233 1.00 0.00 O ATOM 2345 CB ALA A 181 114.910 -10.029 -17.452 1.00 0.00 C ATOM 0 H ALA A 181 114.705 -7.640 -17.132 1.00 0.00 H new ATOM 0 HA ALA A 181 114.276 -9.427 -19.454 1.00 0.00 H new ATOM 0 HB1 ALA A 181 114.782 -11.092 -17.655 1.00 0.00 H new ATOM 0 HB2 ALA A 181 115.956 -9.756 -17.593 1.00 0.00 H new ATOM 0 HB3 ALA A 181 114.615 -9.818 -16.424 1.00 0.00 H new TER 2351 ALA A 181 HETATM 2352 O1 4P2 A 201 121.944 -12.304 4.927 1.00 20.00 O HETATM 2353 C8 4P2 A 201 127.062 -10.580 5.763 1.00 20.00 C HETATM 2354 O9 4P2 A 201 128.247 -10.007 5.359 1.00 20.00 O HETATM 2355 C10 4P2 A 201 128.833 -10.413 4.079 1.00 20.00 C HETATM 2356 C11 4P2 A 201 130.338 -10.180 4.192 1.00 20.00 C HETATM 2357 C12 4P2 A 201 130.771 -9.890 2.774 1.00 20.00 C HETATM 2358 C13 4P2 A 201 129.671 -8.976 2.258 1.00 20.00 C HETATM 2359 C14 4P2 A 201 128.359 -9.499 2.913 1.00 20.00 C HETATM 2360 C15 4P2 A 201 127.493 -10.223 1.850 1.00 20.00 C HETATM 2361 C16 4P2 A 201 126.155 -10.746 2.385 1.00 20.00 C HETATM 2362 C17 4P2 A 201 125.084 -10.788 1.290 1.00 20.00 C HETATM 2363 C18 4P2 A 201 123.877 -11.648 1.674 1.00 20.00 C HETATM 2364 C19 4P2 A 201 122.832 -10.910 2.529 1.00 20.00 C HETATM 2365 C20 4P2 A 201 121.554 -11.724 2.603 1.00 20.00 C HETATM 2366 N21 4P2 A 201 120.829 -11.785 1.387 1.00 20.00 N HETATM 2367 C22 4P2 A 201 119.720 -12.611 1.261 1.00 20.00 C HETATM 2368 C23 4P2 A 201 118.990 -12.674 0.010 1.00 20.00 C HETATM 2369 C24 4P2 A 201 117.810 -13.524 -0.139 1.00 20.00 C HETATM 2370 C25 4P2 A 201 117.357 -14.349 0.974 1.00 20.00 C HETATM 2371 C26 4P2 A 201 118.072 -14.317 2.250 1.00 20.00 C HETATM 2372 C27 4P2 A 201 119.249 -13.453 2.412 1.00 20.00 C HETATM 2373 C28 4P2 A 201 120.006 -13.361 3.657 1.00 20.00 C HETATM 2374 C29 4P2 A 201 121.171 -12.482 3.787 1.00 20.00 C HETATM 2375 O38 4P2 A 201 126.438 -11.473 5.193 1.00 20.00 O HETATM 2376 C5 4P2 A 201 124.203 -9.566 6.793 1.00 20.00 C HETATM 2377 C6 4P2 A 201 125.333 -10.346 7.563 1.00 20.00 C HETATM 2378 N7 4P2 A 201 126.641 -10.008 6.945 1.00 20.00 N HETATM 2379 O32 4P2 A 201 124.450 -8.502 6.228 1.00 20.00 O HETATM 2380 C33 4P2 A 201 125.289 -9.935 9.071 1.00 20.00 C HETATM 2381 C34 4P2 A 201 126.568 -10.271 9.860 1.00 20.00 C HETATM 2382 C35 4P2 A 201 126.146 -10.261 11.330 1.00 20.00 C HETATM 2383 C36 4P2 A 201 124.624 -10.368 11.336 1.00 20.00 C HETATM 2384 C37 4P2 A 201 124.236 -10.681 9.900 1.00 20.00 C HETATM 2385 N4 4P2 A 201 122.908 -10.081 6.819 1.00 20.00 N HETATM 2386 C31 4P2 A 201 121.763 -9.333 6.259 1.00 20.00 C HETATM 2387 C39 4P2 A 201 121.226 -8.318 7.312 1.00 20.00 C HETATM 2388 O40 4P2 A 201 121.315 -8.522 8.529 1.00 20.00 O HETATM 2389 C30 4P2 A 201 120.696 -10.419 5.942 1.00 20.00 C HETATM 2390 C2 4P2 A 201 121.376 -11.784 6.161 1.00 20.00 C HETATM 2391 C3 4P2 A 201 122.547 -11.455 7.101 1.00 20.00 C HETATM 2392 N41 4P2 A 201 120.697 -7.138 6.782 1.00 20.00 N HETATM 2393 C42 4P2 A 201 120.266 -6.000 7.615 1.00 20.00 C HETATM 2394 C43 4P2 A 201 121.426 -5.068 8.102 1.00 20.00 C HETATM 2395 C44 4P2 A 201 120.484 -4.599 7.037 1.00 20.00 C HETATM 2396 C47 4P2 A 201 121.420 -4.469 9.451 1.00 20.00 C HETATM 2397 C48 4P2 A 201 122.426 -4.547 10.329 1.00 20.00 C HETATM 2398 C45 4P2 A 201 118.918 -6.152 8.373 1.00 20.00 C HETATM 2399 O46 4P2 A 201 118.703 -5.523 9.398 1.00 20.00 O HETATM 2400 N49 4P2 A 201 118.012 -7.040 7.794 1.00 20.00 N HETATM 2401 S 4P2 A 201 116.465 -7.315 8.289 1.00 20.00 S HETATM 2402 O51 4P2 A 201 115.941 -8.325 7.391 1.00 20.00 O HETATM 2403 O52 4P2 A 201 116.421 -7.517 9.718 1.00 20.00 O HETATM 2404 C53 4P2 A 201 115.512 -5.825 7.876 1.00 20.00 C HETATM 2405 C54 4P2 A 201 114.498 -5.421 8.912 1.00 20.00 C HETATM 2406 C55 4P2 A 201 115.766 -4.626 8.742 1.00 20.00 C HETATM 2459 ZN ZN A 202 124.730 11.664 -7.639 1.00 20.00 ZN