USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot -77:sc= 2.23 USER MOD Set 1.2: A 51 TYR OH : rot 165:sc= 0.987 USER MOD Set 1.3: A 71 HIS : no HD1:sc= 1.08 K(o=4.3,f=-5.5!) USER MOD Set 2.1: A 52 LYS NZ :NH3+ -112:sc= 0.526 (180deg=-0.252) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc=-0.00156 USER MOD Set 2.3: A 91 TYR OH : rot 21:sc= 0.00429 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 GLN : amide:sc= -0.959 K(o=-1.9,f=-0.071) USER MOD Set 4.2: A 45 ASN : amide:sc= -0.975 K(o=-1.9,f=-0.071) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 0.475 USER MOD Single : A 3 SER OG : rot 180:sc= -0.14 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.9!) USER MOD Single : A 23 ASN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 29:sc= 0.385 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0315 USER MOD Single : A 37 THR OG1 : rot 18:sc= 0.272 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.1!) USER MOD Single : A 50 ASN : amide:sc= -0.833 K(o=-0.83,f=-2.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -146:sc= -0.0719 (180deg=-0.0948) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 84:sc= 0.553 USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= -0.19 (180deg=-1.04) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 35:sc= 0.285 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.28) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0376) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 82 THR OG1 : rot 57:sc= 0.689 USER MOD Single : A 84 TYR OH : rot 100:sc= 0.0506 USER MOD Single : A 85 SER OG : rot 100:sc= -0.963 USER MOD Single : A 92 ASN : amide:sc= -3.18 K(o=-3.2,f=-13!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=-0.25) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -70:sc= 0.859 USER MOD Single : A 107 THR OG1 : rot 173:sc= 1.09 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.943 -37.486 -4.494 1.00 0.00 N ATOM 2 CA GLY A 1 -9.346 -36.953 -3.284 1.00 0.00 C ATOM 3 C GLY A 1 -8.195 -36.010 -3.572 1.00 0.00 C ATOM 4 O GLY A 1 -7.264 -36.359 -4.298 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.725 -38.125 -4.243 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.307 -36.704 -5.075 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.225 -38.012 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.107 -36.427 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.991 -37.777 -2.665 1.00 0.00 H new ATOM 8 N SER A 2 -8.258 -34.810 -3.003 1.00 0.00 N ATOM 9 CA SER A 2 -7.215 -33.812 -3.207 1.00 0.00 C ATOM 10 C SER A 2 -7.132 -32.862 -2.016 1.00 0.00 C ATOM 11 O SER A 2 -8.016 -32.843 -1.160 1.00 0.00 O ATOM 12 CB SER A 2 -7.481 -33.020 -4.488 1.00 0.00 C ATOM 13 OG SER A 2 -7.233 -33.811 -5.638 1.00 0.00 O ATOM 0 H SER A 2 -9.020 -34.506 -2.397 1.00 0.00 H new ATOM 0 HA SER A 2 -6.262 -34.332 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.514 -32.674 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.847 -32.133 -4.509 1.00 0.00 H new ATOM 0 HG SER A 2 -7.076 -34.740 -5.368 1.00 0.00 H new ATOM 19 N SER A 3 -6.062 -32.074 -1.969 1.00 0.00 N ATOM 20 CA SER A 3 -5.860 -31.123 -0.882 1.00 0.00 C ATOM 21 C SER A 3 -5.003 -29.947 -1.341 1.00 0.00 C ATOM 22 O SER A 3 -4.483 -29.941 -2.455 1.00 0.00 O ATOM 23 CB SER A 3 -5.200 -31.815 0.313 1.00 0.00 C ATOM 24 OG SER A 3 -5.925 -32.971 0.697 1.00 0.00 O ATOM 0 H SER A 3 -5.322 -32.076 -2.671 1.00 0.00 H new ATOM 0 HA SER A 3 -6.835 -30.742 -0.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.177 -32.092 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.143 -31.122 1.153 1.00 0.00 H new ATOM 0 HG SER A 3 -5.482 -33.396 1.461 1.00 0.00 H new ATOM 30 N GLY A 4 -4.861 -28.952 -0.471 1.00 0.00 N ATOM 31 CA GLY A 4 -4.067 -27.784 -0.804 1.00 0.00 C ATOM 32 C GLY A 4 -2.603 -27.958 -0.450 1.00 0.00 C ATOM 33 O GLY A 4 -2.269 -28.633 0.523 1.00 0.00 O ATOM 0 H GLY A 4 -5.281 -28.934 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.158 -27.579 -1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.464 -26.916 -0.278 1.00 0.00 H new ATOM 37 N SER A 5 -1.728 -27.349 -1.243 1.00 0.00 N ATOM 38 CA SER A 5 -0.291 -27.444 -1.012 1.00 0.00 C ATOM 39 C SER A 5 0.424 -26.194 -1.516 1.00 0.00 C ATOM 40 O SER A 5 0.011 -25.584 -2.502 1.00 0.00 O ATOM 41 CB SER A 5 0.277 -28.685 -1.705 1.00 0.00 C ATOM 42 OG SER A 5 1.563 -29.005 -1.202 1.00 0.00 O ATOM 0 H SER A 5 -1.989 -26.784 -2.051 1.00 0.00 H new ATOM 0 HA SER A 5 -0.125 -27.528 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.396 -29.529 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.336 -28.511 -2.779 1.00 0.00 H new ATOM 0 HG SER A 5 1.904 -29.802 -1.659 1.00 0.00 H new ATOM 48 N SER A 6 1.500 -25.820 -0.831 1.00 0.00 N ATOM 49 CA SER A 6 2.272 -24.640 -1.205 1.00 0.00 C ATOM 50 C SER A 6 3.628 -25.039 -1.780 1.00 0.00 C ATOM 51 O SER A 6 4.128 -26.133 -1.521 1.00 0.00 O ATOM 52 CB SER A 6 2.468 -23.727 0.007 1.00 0.00 C ATOM 53 OG SER A 6 3.110 -24.416 1.066 1.00 0.00 O ATOM 0 H SER A 6 1.857 -26.316 -0.015 1.00 0.00 H new ATOM 0 HA SER A 6 1.716 -24.100 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.062 -22.859 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.501 -23.354 0.345 1.00 0.00 H new ATOM 0 HG SER A 6 3.225 -23.810 1.828 1.00 0.00 H new ATOM 59 N GLY A 7 4.218 -24.141 -2.564 1.00 0.00 N ATOM 60 CA GLY A 7 5.510 -24.417 -3.164 1.00 0.00 C ATOM 61 C GLY A 7 6.459 -23.239 -3.064 1.00 0.00 C ATOM 62 O GLY A 7 6.776 -22.780 -1.966 1.00 0.00 O ATOM 0 H GLY A 7 3.824 -23.228 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.957 -25.282 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.371 -24.680 -4.213 1.00 0.00 H new ATOM 66 N ARG A 8 6.915 -22.749 -4.212 1.00 0.00 N ATOM 67 CA ARG A 8 7.836 -21.619 -4.249 1.00 0.00 C ATOM 68 C ARG A 8 7.303 -20.513 -5.155 1.00 0.00 C ATOM 69 O ARG A 8 6.790 -20.780 -6.242 1.00 0.00 O ATOM 70 CB ARG A 8 9.214 -22.072 -4.735 1.00 0.00 C ATOM 71 CG ARG A 8 10.329 -21.096 -4.398 1.00 0.00 C ATOM 72 CD ARG A 8 11.510 -21.251 -5.345 1.00 0.00 C ATOM 73 NE ARG A 8 12.737 -20.690 -4.786 1.00 0.00 N ATOM 74 CZ ARG A 8 13.441 -21.276 -3.824 1.00 0.00 C ATOM 75 NH1 ARG A 8 13.042 -22.435 -3.317 1.00 0.00 N ATOM 76 NH2 ARG A 8 14.548 -20.703 -3.368 1.00 0.00 N ATOM 0 H ARG A 8 6.662 -23.117 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 8 7.927 -21.224 -3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.445 -23.041 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.181 -22.214 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.950 -20.076 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.660 -21.260 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.662 -22.308 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.284 -20.758 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 8 13.072 -19.800 -5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.192 -22.879 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.585 -22.882 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.858 -19.812 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.088 -21.153 -2.629 1.00 0.00 H new ATOM 90 N VAL A 9 7.429 -19.270 -4.701 1.00 0.00 N ATOM 91 CA VAL A 9 6.962 -18.124 -5.470 1.00 0.00 C ATOM 92 C VAL A 9 8.049 -17.611 -6.408 1.00 0.00 C ATOM 93 O VAL A 9 9.219 -17.536 -6.035 1.00 0.00 O ATOM 94 CB VAL A 9 6.511 -16.975 -4.548 1.00 0.00 C ATOM 95 CG1 VAL A 9 6.044 -15.783 -5.369 1.00 0.00 C ATOM 96 CG2 VAL A 9 5.413 -17.448 -3.607 1.00 0.00 C ATOM 0 H VAL A 9 7.851 -19.032 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 9 6.110 -18.464 -6.058 1.00 0.00 H new ATOM 0 HB VAL A 9 7.363 -16.659 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.729 -14.982 -4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.862 -15.431 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.205 -16.081 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.106 -16.624 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.558 -17.791 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.787 -18.268 -2.994 1.00 0.00 H new ATOM 106 N GLU A 10 7.653 -17.258 -7.627 1.00 0.00 N ATOM 107 CA GLU A 10 8.595 -16.752 -8.619 1.00 0.00 C ATOM 108 C GLU A 10 9.010 -15.320 -8.294 1.00 0.00 C ATOM 109 O GLU A 10 8.176 -14.416 -8.242 1.00 0.00 O ATOM 110 CB GLU A 10 7.978 -16.811 -10.017 1.00 0.00 C ATOM 111 CG GLU A 10 7.746 -18.225 -10.521 1.00 0.00 C ATOM 112 CD GLU A 10 9.008 -19.066 -10.503 1.00 0.00 C ATOM 113 OE1 GLU A 10 9.817 -18.939 -11.445 1.00 0.00 O ATOM 114 OE2 GLU A 10 9.186 -19.849 -9.547 1.00 0.00 O ATOM 0 H GLU A 10 6.687 -17.313 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 10 9.483 -17.384 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.028 -16.277 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.631 -16.288 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.985 -18.705 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.355 -18.185 -11.538 1.00 0.00 H new ATOM 121 N THR A 11 10.306 -15.121 -8.074 1.00 0.00 N ATOM 122 CA THR A 11 10.833 -13.801 -7.753 1.00 0.00 C ATOM 123 C THR A 11 11.696 -13.262 -8.888 1.00 0.00 C ATOM 124 O THR A 11 12.515 -13.985 -9.454 1.00 0.00 O ATOM 125 CB THR A 11 11.668 -13.829 -6.458 1.00 0.00 C ATOM 126 OG1 THR A 11 12.035 -12.497 -6.083 1.00 0.00 O ATOM 127 CG2 THR A 11 12.919 -14.674 -6.639 1.00 0.00 C ATOM 0 H THR A 11 11.010 -15.858 -8.112 1.00 0.00 H new ATOM 0 HA THR A 11 9.975 -13.145 -7.610 1.00 0.00 H new ATOM 0 HB THR A 11 11.060 -14.273 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.564 -12.523 -5.258 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.492 -14.679 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.635 -15.695 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.528 -14.255 -7.440 1.00 0.00 H new ATOM 135 N GLN A 12 11.507 -11.988 -9.215 1.00 0.00 N ATOM 136 CA GLN A 12 12.269 -11.352 -10.283 1.00 0.00 C ATOM 137 C GLN A 12 13.037 -10.144 -9.760 1.00 0.00 C ATOM 138 O GLN A 12 12.577 -9.420 -8.876 1.00 0.00 O ATOM 139 CB GLN A 12 11.337 -10.926 -11.419 1.00 0.00 C ATOM 140 CG GLN A 12 11.006 -12.049 -12.389 1.00 0.00 C ATOM 141 CD GLN A 12 12.213 -12.509 -13.183 1.00 0.00 C ATOM 142 OE1 GLN A 12 13.143 -13.100 -12.634 1.00 0.00 O ATOM 143 NE2 GLN A 12 12.203 -12.240 -14.483 1.00 0.00 N ATOM 0 H GLN A 12 10.833 -11.376 -8.756 1.00 0.00 H new ATOM 0 HA GLN A 12 12.987 -12.078 -10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.411 -10.541 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.800 -10.107 -11.969 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.597 -12.894 -11.835 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.230 -11.713 -13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.411 -11.748 -14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 12 12.988 -12.526 -15.069 1.00 0.00 H new ATOM 152 N PRO A 13 14.237 -9.918 -10.316 1.00 0.00 N ATOM 153 CA PRO A 13 15.095 -8.798 -9.920 1.00 0.00 C ATOM 154 C PRO A 13 14.529 -7.451 -10.359 1.00 0.00 C ATOM 155 O PRO A 13 13.452 -7.384 -10.950 1.00 0.00 O ATOM 156 CB PRO A 13 16.412 -9.086 -10.644 1.00 0.00 C ATOM 157 CG PRO A 13 16.024 -9.916 -11.819 1.00 0.00 C ATOM 158 CD PRO A 13 14.848 -10.740 -11.374 1.00 0.00 C ATOM 0 HA PRO A 13 15.196 -8.725 -8.837 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.903 -8.164 -10.955 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.111 -9.617 -9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.761 -9.288 -12.670 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.849 -10.553 -12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.152 -10.923 -12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.159 -11.714 -10.997 1.00 0.00 H new ATOM 166 N GLU A 14 15.263 -6.382 -10.067 1.00 0.00 N ATOM 167 CA GLU A 14 14.833 -5.038 -10.432 1.00 0.00 C ATOM 168 C GLU A 14 16.015 -4.199 -10.911 1.00 0.00 C ATOM 169 O GLU A 14 17.034 -4.095 -10.228 1.00 0.00 O ATOM 170 CB GLU A 14 14.157 -4.354 -9.242 1.00 0.00 C ATOM 171 CG GLU A 14 15.114 -4.014 -8.111 1.00 0.00 C ATOM 172 CD GLU A 14 14.414 -3.894 -6.771 1.00 0.00 C ATOM 173 OE1 GLU A 14 13.425 -4.624 -6.552 1.00 0.00 O ATOM 174 OE2 GLU A 14 14.856 -3.070 -5.943 1.00 0.00 O ATOM 0 H GLU A 14 16.158 -6.421 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 14 14.116 -5.123 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.674 -3.439 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.371 -5.004 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.883 -4.784 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.620 -3.076 -8.338 1.00 0.00 H new ATOM 181 N VAL A 15 15.870 -3.603 -12.090 1.00 0.00 N ATOM 182 CA VAL A 15 16.925 -2.774 -12.661 1.00 0.00 C ATOM 183 C VAL A 15 16.373 -1.435 -13.137 1.00 0.00 C ATOM 184 O VAL A 15 15.377 -1.384 -13.859 1.00 0.00 O ATOM 185 CB VAL A 15 17.617 -3.480 -13.842 1.00 0.00 C ATOM 186 CG1 VAL A 15 16.661 -3.619 -15.017 1.00 0.00 C ATOM 187 CG2 VAL A 15 18.872 -2.725 -14.252 1.00 0.00 C ATOM 0 H VAL A 15 15.033 -3.679 -12.668 1.00 0.00 H new ATOM 0 HA VAL A 15 17.656 -2.603 -11.871 1.00 0.00 H new ATOM 0 HB VAL A 15 17.910 -4.480 -13.523 1.00 0.00 H new ATOM 0 HG11 VAL A 15 17.168 -4.120 -15.841 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.794 -4.206 -14.713 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.334 -2.630 -15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 15 19.348 -3.238 -15.088 1.00 0.00 H new ATOM 0 HG22 VAL A 15 18.605 -1.712 -14.552 1.00 0.00 H new ATOM 0 HG23 VAL A 15 19.563 -2.684 -13.410 1.00 0.00 H new ATOM 197 N GLN A 16 17.027 -0.352 -12.729 1.00 0.00 N ATOM 198 CA GLN A 16 16.601 0.988 -13.114 1.00 0.00 C ATOM 199 C GLN A 16 15.138 1.219 -12.752 1.00 0.00 C ATOM 200 O GLN A 16 14.341 1.649 -13.587 1.00 0.00 O ATOM 201 CB GLN A 16 16.807 1.200 -14.615 1.00 0.00 C ATOM 202 CG GLN A 16 18.257 1.440 -15.002 1.00 0.00 C ATOM 203 CD GLN A 16 18.410 1.895 -16.440 1.00 0.00 C ATOM 204 OE1 GLN A 16 18.425 1.080 -17.363 1.00 0.00 O ATOM 205 NE2 GLN A 16 18.524 3.203 -16.638 1.00 0.00 N ATOM 0 H GLN A 16 17.854 -0.377 -12.132 1.00 0.00 H new ATOM 0 HA GLN A 16 17.210 1.707 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.436 0.326 -15.151 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.208 2.051 -14.939 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.686 2.192 -14.340 1.00 0.00 H new ATOM 0 HG3 GLN A 16 18.825 0.522 -14.853 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.506 3.843 -15.844 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.629 3.568 -17.585 1.00 0.00 H new ATOM 214 N LEU A 17 14.790 0.931 -11.502 1.00 0.00 N ATOM 215 CA LEU A 17 13.422 1.107 -11.029 1.00 0.00 C ATOM 216 C LEU A 17 13.314 2.322 -10.113 1.00 0.00 C ATOM 217 O LEU A 17 14.306 2.811 -9.571 1.00 0.00 O ATOM 218 CB LEU A 17 12.951 -0.146 -10.290 1.00 0.00 C ATOM 219 CG LEU A 17 12.301 -1.230 -11.151 1.00 0.00 C ATOM 220 CD1 LEU A 17 10.992 -0.729 -11.741 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.250 -1.674 -12.254 1.00 0.00 C ATOM 0 H LEU A 17 15.437 0.575 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 17 12.783 1.271 -11.897 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.807 -0.583 -9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.238 0.156 -9.522 1.00 0.00 H new ATOM 0 HG LEU A 17 12.084 -2.090 -10.517 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.544 -1.514 -12.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.309 -0.461 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.184 0.147 -12.361 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.771 -2.446 -12.857 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.498 -0.821 -12.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.162 -2.074 -11.810 1.00 0.00 H new ATOM 233 N PRO A 18 12.082 2.821 -9.933 1.00 0.00 N ATOM 234 CA PRO A 18 11.816 3.984 -9.081 1.00 0.00 C ATOM 235 C PRO A 18 12.013 3.674 -7.601 1.00 0.00 C ATOM 236 O PRO A 18 12.154 2.515 -7.212 1.00 0.00 O ATOM 237 CB PRO A 18 10.347 4.306 -9.369 1.00 0.00 C ATOM 238 CG PRO A 18 9.757 3.014 -9.819 1.00 0.00 C ATOM 239 CD PRO A 18 10.855 2.289 -10.548 1.00 0.00 C ATOM 0 HA PRO A 18 12.497 4.809 -9.292 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.843 4.683 -8.479 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.253 5.073 -10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.401 2.431 -8.970 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.900 3.182 -10.472 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.777 1.209 -10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.824 2.486 -11.620 1.00 0.00 H new ATOM 247 N GLY A 19 12.020 4.719 -6.778 1.00 0.00 N ATOM 248 CA GLY A 19 12.199 4.536 -5.349 1.00 0.00 C ATOM 249 C GLY A 19 10.882 4.392 -4.613 1.00 0.00 C ATOM 250 O GLY A 19 9.806 4.588 -5.178 1.00 0.00 O ATOM 0 H GLY A 19 11.905 5.688 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.809 3.650 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.747 5.386 -4.943 1.00 0.00 H new ATOM 254 N PRO A 20 10.958 4.041 -3.321 1.00 0.00 N ATOM 255 CA PRO A 20 9.771 3.861 -2.479 1.00 0.00 C ATOM 256 C PRO A 20 9.068 5.181 -2.180 1.00 0.00 C ATOM 257 O PRO A 20 9.715 6.205 -1.965 1.00 0.00 O ATOM 258 CB PRO A 20 10.338 3.254 -1.193 1.00 0.00 C ATOM 259 CG PRO A 20 11.755 3.711 -1.150 1.00 0.00 C ATOM 260 CD PRO A 20 12.207 3.792 -2.582 1.00 0.00 C ATOM 0 HA PRO A 20 9.017 3.240 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.786 3.595 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.273 2.166 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.838 4.681 -0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.373 3.014 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.929 4.595 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.687 2.868 -2.905 1.00 0.00 H new ATOM 268 N ALA A 21 7.739 5.148 -2.167 1.00 0.00 N ATOM 269 CA ALA A 21 6.948 6.341 -1.892 1.00 0.00 C ATOM 270 C ALA A 21 7.126 6.797 -0.448 1.00 0.00 C ATOM 271 O ALA A 21 6.695 6.133 0.496 1.00 0.00 O ATOM 272 CB ALA A 21 5.479 6.080 -2.188 1.00 0.00 C ATOM 0 H ALA A 21 7.188 4.308 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 21 7.302 7.140 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.900 6.979 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.362 5.810 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.121 5.264 -1.561 1.00 0.00 H new ATOM 278 N PRO A 22 7.777 7.956 -0.268 1.00 0.00 N ATOM 279 CA PRO A 22 8.027 8.525 1.059 1.00 0.00 C ATOM 280 C PRO A 22 6.750 9.027 1.725 1.00 0.00 C ATOM 281 O PRO A 22 5.658 8.886 1.178 1.00 0.00 O ATOM 282 CB PRO A 22 8.974 9.693 0.772 1.00 0.00 C ATOM 283 CG PRO A 22 8.687 10.074 -0.640 1.00 0.00 C ATOM 284 CD PRO A 22 8.319 8.799 -1.346 1.00 0.00 C ATOM 0 HA PRO A 22 8.436 7.786 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.793 10.526 1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.016 9.399 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.873 10.797 -0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.557 10.539 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.582 8.972 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.185 8.338 -1.820 1.00 0.00 H new ATOM 292 N ASN A 23 6.896 9.612 2.909 1.00 0.00 N ATOM 293 CA ASN A 23 5.754 10.135 3.650 1.00 0.00 C ATOM 294 C ASN A 23 4.524 9.255 3.444 1.00 0.00 C ATOM 295 O ASN A 23 3.454 9.742 3.077 1.00 0.00 O ATOM 296 CB ASN A 23 5.448 11.569 3.212 1.00 0.00 C ATOM 297 CG ASN A 23 6.201 12.597 4.034 1.00 0.00 C ATOM 298 OD1 ASN A 23 5.670 13.661 4.354 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.444 12.283 4.379 1.00 0.00 N ATOM 0 H ASN A 23 7.794 9.736 3.376 1.00 0.00 H new ATOM 0 HA ASN A 23 6.008 10.133 4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.707 11.688 2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.377 11.752 3.299 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.000 12.935 4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.843 11.389 4.091 1.00 0.00 H new ATOM 306 N LEU A 24 4.684 7.959 3.683 1.00 0.00 N ATOM 307 CA LEU A 24 3.587 7.010 3.525 1.00 0.00 C ATOM 308 C LEU A 24 2.724 6.961 4.781 1.00 0.00 C ATOM 309 O LEU A 24 3.119 6.386 5.795 1.00 0.00 O ATOM 310 CB LEU A 24 4.134 5.616 3.213 1.00 0.00 C ATOM 311 CG LEU A 24 3.090 4.520 2.991 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.250 4.825 1.761 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.763 3.162 2.856 1.00 0.00 C ATOM 0 H LEU A 24 5.563 7.540 3.987 1.00 0.00 H new ATOM 0 HA LEU A 24 2.967 7.345 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.757 5.683 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.784 5.310 4.033 1.00 0.00 H new ATOM 0 HG LEU A 24 2.431 4.492 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.513 4.035 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.739 5.778 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.895 4.881 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.005 2.394 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.446 3.177 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.321 2.940 3.766 1.00 0.00 H new ATOM 325 N ARG A 25 1.544 7.567 4.706 1.00 0.00 N ATOM 326 CA ARG A 25 0.624 7.592 5.837 1.00 0.00 C ATOM 327 C ARG A 25 -0.668 6.852 5.503 1.00 0.00 C ATOM 328 O ARG A 25 -1.008 6.673 4.334 1.00 0.00 O ATOM 329 CB ARG A 25 0.310 9.035 6.235 1.00 0.00 C ATOM 330 CG ARG A 25 1.444 10.006 5.950 1.00 0.00 C ATOM 331 CD ARG A 25 2.551 9.890 6.987 1.00 0.00 C ATOM 332 NE ARG A 25 2.163 10.473 8.268 1.00 0.00 N ATOM 333 CZ ARG A 25 2.234 11.772 8.537 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.677 12.619 7.618 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.863 12.226 9.727 1.00 0.00 N ATOM 0 H ARG A 25 1.202 8.047 3.874 1.00 0.00 H new ATOM 0 HA ARG A 25 1.105 7.088 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.582 9.364 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.075 9.067 7.299 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.851 9.810 4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.058 11.025 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.806 8.840 7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.447 10.389 6.618 1.00 0.00 H new ATOM 0 HE ARG A 25 1.818 9.848 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.964 12.274 6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.731 13.616 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.523 11.577 10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.918 13.224 9.932 1.00 0.00 H new ATOM 349 N ALA A 26 -1.384 6.425 6.538 1.00 0.00 N ATOM 350 CA ALA A 26 -2.639 5.707 6.355 1.00 0.00 C ATOM 351 C ALA A 26 -3.502 5.780 7.610 1.00 0.00 C ATOM 352 O ALA A 26 -3.048 5.455 8.707 1.00 0.00 O ATOM 353 CB ALA A 26 -2.367 4.257 5.983 1.00 0.00 C ATOM 0 H ALA A 26 -1.116 6.564 7.512 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.186 6.183 5.542 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.313 3.732 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.797 4.220 5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.796 3.778 6.778 1.00 0.00 H new ATOM 359 N TYR A 27 -4.747 6.211 7.442 1.00 0.00 N ATOM 360 CA TYR A 27 -5.673 6.330 8.562 1.00 0.00 C ATOM 361 C TYR A 27 -7.075 5.884 8.160 1.00 0.00 C ATOM 362 O TYR A 27 -7.472 6.015 7.002 1.00 0.00 O ATOM 363 CB TYR A 27 -5.710 7.773 9.068 1.00 0.00 C ATOM 364 CG TYR A 27 -5.923 8.794 7.974 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.861 9.246 7.202 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.188 9.305 7.711 1.00 0.00 C ATOM 367 CE1 TYR A 27 -5.051 10.179 6.201 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.388 10.237 6.711 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.316 10.672 5.959 1.00 0.00 C ATOM 370 OH TYR A 27 -6.511 11.600 4.962 1.00 0.00 O ATOM 0 H TYR A 27 -5.139 6.484 6.541 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.321 5.680 9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.508 7.870 9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.774 7.993 9.581 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.869 8.861 7.387 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.029 8.968 8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.213 10.520 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.378 10.623 6.519 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.460 11.843 4.922 1.00 0.00 H new ATOM 380 N ALA A 28 -7.821 5.358 9.125 1.00 0.00 N ATOM 381 CA ALA A 28 -9.180 4.895 8.874 1.00 0.00 C ATOM 382 C ALA A 28 -10.179 6.043 8.974 1.00 0.00 C ATOM 383 O ALA A 28 -10.458 6.542 10.063 1.00 0.00 O ATOM 384 CB ALA A 28 -9.549 3.786 9.849 1.00 0.00 C ATOM 0 H ALA A 28 -7.507 5.242 10.089 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.220 4.500 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.567 3.450 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.860 2.950 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.485 4.163 10.870 1.00 0.00 H new ATOM 390 N ALA A 29 -10.713 6.457 7.829 1.00 0.00 N ATOM 391 CA ALA A 29 -11.681 7.546 7.788 1.00 0.00 C ATOM 392 C ALA A 29 -13.050 7.082 8.275 1.00 0.00 C ATOM 393 O ALA A 29 -13.859 7.884 8.741 1.00 0.00 O ATOM 394 CB ALA A 29 -11.783 8.109 6.379 1.00 0.00 C ATOM 0 H ALA A 29 -10.491 6.055 6.918 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.334 8.333 8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.510 8.921 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.809 8.487 6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.103 7.323 5.695 1.00 0.00 H new ATOM 400 N SER A 30 -13.303 5.782 8.163 1.00 0.00 N ATOM 401 CA SER A 30 -14.577 5.212 8.587 1.00 0.00 C ATOM 402 C SER A 30 -14.418 3.739 8.952 1.00 0.00 C ATOM 403 O SER A 30 -13.463 3.073 8.551 1.00 0.00 O ATOM 404 CB SER A 30 -15.622 5.365 7.481 1.00 0.00 C ATOM 405 OG SER A 30 -16.273 6.621 7.566 1.00 0.00 O ATOM 0 H SER A 30 -12.643 5.104 7.782 1.00 0.00 H new ATOM 0 HA SER A 30 -14.913 5.754 9.471 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.143 5.265 6.507 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.358 4.564 7.558 1.00 0.00 H new ATOM 0 HG SER A 30 -15.666 7.278 7.966 1.00 0.00 H new ATOM 411 N PRO A 31 -15.376 3.216 9.731 1.00 0.00 N ATOM 412 CA PRO A 31 -15.367 1.817 10.167 1.00 0.00 C ATOM 413 C PRO A 31 -15.636 0.850 9.019 1.00 0.00 C ATOM 414 O PRO A 31 -15.691 -0.365 9.216 1.00 0.00 O ATOM 415 CB PRO A 31 -16.500 1.757 11.194 1.00 0.00 C ATOM 416 CG PRO A 31 -17.419 2.865 10.809 1.00 0.00 C ATOM 417 CD PRO A 31 -16.544 3.951 10.246 1.00 0.00 C ATOM 0 HA PRO A 31 -14.397 1.521 10.566 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.009 0.793 11.167 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.123 1.890 12.208 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.148 2.529 10.071 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.981 3.224 11.671 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.050 4.506 9.456 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.259 4.674 11.010 1.00 0.00 H new ATOM 425 N THR A 32 -15.803 1.396 7.819 1.00 0.00 N ATOM 426 CA THR A 32 -16.068 0.582 6.639 1.00 0.00 C ATOM 427 C THR A 32 -15.153 0.973 5.485 1.00 0.00 C ATOM 428 O THR A 32 -15.241 0.412 4.392 1.00 0.00 O ATOM 429 CB THR A 32 -17.534 0.711 6.184 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.803 2.058 5.779 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.485 0.313 7.303 1.00 0.00 C ATOM 0 H THR A 32 -15.759 2.399 7.638 1.00 0.00 H new ATOM 0 HA THR A 32 -15.873 -0.453 6.919 1.00 0.00 H new ATOM 0 HB THR A 32 -17.691 0.039 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.736 2.132 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.514 0.412 6.958 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.297 -0.722 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.326 0.963 8.164 1.00 0.00 H new ATOM 439 N SER A 33 -14.273 1.938 5.734 1.00 0.00 N ATOM 440 CA SER A 33 -13.343 2.407 4.713 1.00 0.00 C ATOM 441 C SER A 33 -12.005 2.794 5.334 1.00 0.00 C ATOM 442 O SER A 33 -11.861 2.821 6.557 1.00 0.00 O ATOM 443 CB SER A 33 -13.935 3.602 3.963 1.00 0.00 C ATOM 444 OG SER A 33 -13.582 4.823 4.589 1.00 0.00 O ATOM 0 H SER A 33 -14.185 2.410 6.634 1.00 0.00 H new ATOM 0 HA SER A 33 -13.175 1.593 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.579 3.602 2.933 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.020 3.510 3.925 1.00 0.00 H new ATOM 0 HG SER A 33 -13.971 5.571 4.090 1.00 0.00 H new ATOM 450 N ILE A 34 -11.029 3.093 4.483 1.00 0.00 N ATOM 451 CA ILE A 34 -9.703 3.479 4.948 1.00 0.00 C ATOM 452 C ILE A 34 -9.013 4.395 3.942 1.00 0.00 C ATOM 453 O ILE A 34 -8.916 4.074 2.757 1.00 0.00 O ATOM 454 CB ILE A 34 -8.812 2.248 5.198 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.375 1.409 6.347 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.385 2.679 5.500 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.638 0.106 6.561 1.00 0.00 C ATOM 0 H ILE A 34 -11.132 3.075 3.468 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.842 4.013 5.888 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.803 1.636 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.337 1.994 7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.425 1.195 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.768 1.798 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.987 3.239 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.376 3.310 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.091 -0.436 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.698 -0.499 5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.593 0.313 6.790 1.00 0.00 H new ATOM 469 N THR A 35 -8.534 5.538 4.423 1.00 0.00 N ATOM 470 CA THR A 35 -7.852 6.501 3.567 1.00 0.00 C ATOM 471 C THR A 35 -6.338 6.360 3.677 1.00 0.00 C ATOM 472 O THR A 35 -5.791 6.278 4.777 1.00 0.00 O ATOM 473 CB THR A 35 -8.249 7.947 3.921 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.644 8.148 3.671 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.435 8.945 3.113 1.00 0.00 C ATOM 0 H THR A 35 -8.606 5.819 5.401 1.00 0.00 H new ATOM 0 HA THR A 35 -8.160 6.288 2.543 1.00 0.00 H new ATOM 0 HB THR A 35 -8.044 8.107 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.888 9.069 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.733 9.959 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.375 8.810 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.612 8.783 2.050 1.00 0.00 H new ATOM 483 N VAL A 36 -5.666 6.334 2.531 1.00 0.00 N ATOM 484 CA VAL A 36 -4.214 6.205 2.499 1.00 0.00 C ATOM 485 C VAL A 36 -3.583 7.309 1.657 1.00 0.00 C ATOM 486 O VAL A 36 -3.971 7.530 0.510 1.00 0.00 O ATOM 487 CB VAL A 36 -3.785 4.837 1.937 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.302 4.601 2.181 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.618 3.723 2.552 1.00 0.00 C ATOM 0 H VAL A 36 -6.104 6.401 1.612 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.865 6.292 3.528 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.957 4.836 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.017 3.630 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.723 5.383 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.102 4.622 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.301 2.764 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.480 3.720 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.671 3.886 2.321 1.00 0.00 H new ATOM 499 N THR A 37 -2.606 8.000 2.235 1.00 0.00 N ATOM 500 CA THR A 37 -1.920 9.082 1.539 1.00 0.00 C ATOM 501 C THR A 37 -0.414 8.848 1.508 1.00 0.00 C ATOM 502 O THR A 37 0.198 8.546 2.533 1.00 0.00 O ATOM 503 CB THR A 37 -2.203 10.444 2.201 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.615 10.486 3.506 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.700 10.694 2.305 1.00 0.00 C ATOM 0 H THR A 37 -2.272 7.830 3.184 1.00 0.00 H new ATOM 0 HA THR A 37 -2.304 9.095 0.519 1.00 0.00 H new ATOM 0 HB THR A 37 -1.763 11.224 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.935 9.784 3.581 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.875 11.661 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.140 10.691 1.308 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.159 9.909 2.907 1.00 0.00 H new ATOM 513 N TRP A 38 0.178 8.989 0.328 1.00 0.00 N ATOM 514 CA TRP A 38 1.614 8.794 0.165 1.00 0.00 C ATOM 515 C TRP A 38 2.224 9.913 -0.672 1.00 0.00 C ATOM 516 O TRP A 38 1.506 10.703 -1.285 1.00 0.00 O ATOM 517 CB TRP A 38 1.894 7.440 -0.490 1.00 0.00 C ATOM 518 CG TRP A 38 1.208 7.266 -1.811 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.711 7.574 -3.043 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.108 6.745 -2.031 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.787 7.276 -4.016 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.336 6.765 -3.421 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.114 6.263 -1.190 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.530 6.322 -3.985 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.298 5.823 -1.752 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.497 5.855 -3.138 1.00 0.00 C ATOM 0 H TRP A 38 -0.314 9.238 -0.530 1.00 0.00 H new ATOM 0 HA TRP A 38 2.073 8.814 1.154 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.969 7.327 -0.629 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.575 6.645 0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.691 7.990 -3.226 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.917 7.413 -5.018 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.969 6.235 -0.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.687 6.346 -5.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.083 5.448 -1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.433 5.504 -3.546 1.00 0.00 H new ATOM 537 N GLU A 39 3.552 9.974 -0.693 1.00 0.00 N ATOM 538 CA GLU A 39 4.257 10.998 -1.455 1.00 0.00 C ATOM 539 C GLU A 39 5.056 10.374 -2.596 1.00 0.00 C ATOM 540 O GLU A 39 5.282 9.164 -2.622 1.00 0.00 O ATOM 541 CB GLU A 39 5.190 11.795 -0.540 1.00 0.00 C ATOM 542 CG GLU A 39 4.510 12.964 0.153 1.00 0.00 C ATOM 543 CD GLU A 39 4.444 14.201 -0.721 1.00 0.00 C ATOM 544 OE1 GLU A 39 5.509 14.791 -0.998 1.00 0.00 O ATOM 545 OE2 GLU A 39 3.325 14.579 -1.129 1.00 0.00 O ATOM 0 H GLU A 39 4.161 9.327 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 39 3.515 11.673 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.603 11.126 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.028 12.169 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.500 12.673 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.048 13.200 1.071 1.00 0.00 H new ATOM 552 N THR A 40 5.481 11.210 -3.539 1.00 0.00 N ATOM 553 CA THR A 40 6.252 10.741 -4.683 1.00 0.00 C ATOM 554 C THR A 40 7.740 10.685 -4.357 1.00 0.00 C ATOM 555 O THR A 40 8.307 11.608 -3.770 1.00 0.00 O ATOM 556 CB THR A 40 6.041 11.647 -5.911 1.00 0.00 C ATOM 557 OG1 THR A 40 4.683 11.562 -6.354 1.00 0.00 O ATOM 558 CG2 THR A 40 6.975 11.248 -7.044 1.00 0.00 C ATOM 0 H THR A 40 5.304 12.215 -3.532 1.00 0.00 H new ATOM 0 HA THR A 40 5.896 9.737 -4.915 1.00 0.00 H new ATOM 0 HB THR A 40 6.265 12.674 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.553 10.728 -6.852 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.808 11.901 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.009 11.341 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.778 10.215 -7.332 1.00 0.00 H new ATOM 566 N PRO A 41 8.391 9.578 -4.745 1.00 0.00 N ATOM 567 CA PRO A 41 9.823 9.376 -4.505 1.00 0.00 C ATOM 568 C PRO A 41 10.689 10.301 -5.353 1.00 0.00 C ATOM 569 O PRO A 41 10.749 10.164 -6.575 1.00 0.00 O ATOM 570 CB PRO A 41 10.047 7.916 -4.906 1.00 0.00 C ATOM 571 CG PRO A 41 8.963 7.621 -5.884 1.00 0.00 C ATOM 572 CD PRO A 41 7.778 8.439 -5.449 1.00 0.00 C ATOM 0 HA PRO A 41 10.099 9.596 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.032 7.775 -5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.991 7.255 -4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.269 7.885 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.722 6.558 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.181 8.767 -6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.116 7.871 -4.795 1.00 0.00 H new ATOM 580 N VAL A 42 11.359 11.244 -4.698 1.00 0.00 N ATOM 581 CA VAL A 42 12.223 12.191 -5.392 1.00 0.00 C ATOM 582 C VAL A 42 13.129 11.478 -6.390 1.00 0.00 C ATOM 583 O VAL A 42 13.272 11.911 -7.533 1.00 0.00 O ATOM 584 CB VAL A 42 13.094 12.986 -4.402 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.222 13.780 -3.442 1.00 0.00 C ATOM 586 CG2 VAL A 42 14.024 12.052 -3.642 1.00 0.00 C ATOM 0 H VAL A 42 11.320 11.372 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 42 11.571 12.882 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 42 13.705 13.690 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.855 14.335 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.602 14.477 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.583 13.098 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.632 12.631 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.434 11.323 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.673 11.533 -4.347 1.00 0.00 H new ATOM 596 N SER A 43 13.738 10.382 -5.950 1.00 0.00 N ATOM 597 CA SER A 43 14.634 9.610 -6.804 1.00 0.00 C ATOM 598 C SER A 43 13.843 8.779 -7.809 1.00 0.00 C ATOM 599 O SER A 43 12.616 8.709 -7.746 1.00 0.00 O ATOM 600 CB SER A 43 15.520 8.696 -5.955 1.00 0.00 C ATOM 601 OG SER A 43 16.764 8.459 -6.591 1.00 0.00 O ATOM 0 H SER A 43 13.628 10.008 -5.007 1.00 0.00 H new ATOM 0 HA SER A 43 15.265 10.309 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.688 9.151 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.010 7.748 -5.782 1.00 0.00 H new ATOM 0 HG SER A 43 17.313 7.874 -6.028 1.00 0.00 H new ATOM 607 N GLY A 44 14.556 8.150 -8.739 1.00 0.00 N ATOM 608 CA GLY A 44 13.906 7.332 -9.746 1.00 0.00 C ATOM 609 C GLY A 44 14.486 7.545 -11.130 1.00 0.00 C ATOM 610 O GLY A 44 15.095 8.579 -11.402 1.00 0.00 O ATOM 0 H GLY A 44 15.572 8.193 -8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.002 6.281 -9.473 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.840 7.561 -9.763 1.00 0.00 H new ATOM 614 N ASN A 45 14.298 6.564 -12.006 1.00 0.00 N ATOM 615 CA ASN A 45 14.810 6.649 -13.369 1.00 0.00 C ATOM 616 C ASN A 45 13.717 7.099 -14.334 1.00 0.00 C ATOM 617 O ASN A 45 13.071 6.277 -14.983 1.00 0.00 O ATOM 618 CB ASN A 45 15.370 5.295 -13.811 1.00 0.00 C ATOM 619 CG ASN A 45 16.457 5.433 -14.859 1.00 0.00 C ATOM 620 OD1 ASN A 45 17.475 6.087 -14.632 1.00 0.00 O ATOM 621 ND2 ASN A 45 16.244 4.816 -16.016 1.00 0.00 N ATOM 0 H ASN A 45 13.795 5.701 -11.797 1.00 0.00 H new ATOM 0 HA ASN A 45 15.611 7.389 -13.384 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.770 4.770 -12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.561 4.683 -14.209 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.939 4.873 -16.760 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.385 4.285 -16.160 1.00 0.00 H new ATOM 628 N GLY A 46 13.516 8.410 -14.422 1.00 0.00 N ATOM 629 CA GLY A 46 12.501 8.947 -15.309 1.00 0.00 C ATOM 630 C GLY A 46 11.238 9.347 -14.571 1.00 0.00 C ATOM 631 O GLY A 46 11.295 9.767 -13.416 1.00 0.00 O ATOM 0 H GLY A 46 14.038 9.110 -13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.903 9.815 -15.832 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.255 8.203 -16.067 1.00 0.00 H new ATOM 635 N GLU A 47 10.097 9.218 -15.241 1.00 0.00 N ATOM 636 CA GLU A 47 8.816 9.573 -14.641 1.00 0.00 C ATOM 637 C GLU A 47 8.021 8.322 -14.278 1.00 0.00 C ATOM 638 O GLU A 47 8.384 7.210 -14.662 1.00 0.00 O ATOM 639 CB GLU A 47 8.004 10.447 -15.599 1.00 0.00 C ATOM 640 CG GLU A 47 7.445 9.688 -16.791 1.00 0.00 C ATOM 641 CD GLU A 47 6.793 10.602 -17.810 1.00 0.00 C ATOM 642 OE1 GLU A 47 5.607 10.947 -17.623 1.00 0.00 O ATOM 643 OE2 GLU A 47 7.466 10.971 -18.794 1.00 0.00 O ATOM 0 H GLU A 47 10.033 8.871 -16.198 1.00 0.00 H new ATOM 0 HA GLU A 47 9.014 10.135 -13.728 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.180 10.903 -15.051 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.635 11.259 -15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.249 9.130 -17.271 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.714 8.959 -16.442 1.00 0.00 H new ATOM 650 N ILE A 48 6.935 8.514 -13.536 1.00 0.00 N ATOM 651 CA ILE A 48 6.088 7.402 -13.122 1.00 0.00 C ATOM 652 C ILE A 48 4.868 7.273 -14.028 1.00 0.00 C ATOM 653 O ILE A 48 4.305 8.274 -14.472 1.00 0.00 O ATOM 654 CB ILE A 48 5.617 7.566 -11.665 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.811 7.843 -10.749 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.869 6.322 -11.207 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.800 6.702 -10.683 1.00 0.00 C ATOM 0 H ILE A 48 6.621 9.428 -13.210 1.00 0.00 H new ATOM 0 HA ILE A 48 6.692 6.498 -13.200 1.00 0.00 H new ATOM 0 HB ILE A 48 4.937 8.416 -11.612 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.325 8.739 -11.097 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.446 8.055 -9.744 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.542 6.453 -10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.000 6.164 -11.846 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.528 5.457 -11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.619 6.969 -10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.301 5.809 -10.306 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.194 6.504 -11.680 1.00 0.00 H new ATOM 669 N GLN A 49 4.463 6.036 -14.294 1.00 0.00 N ATOM 670 CA GLN A 49 3.309 5.777 -15.146 1.00 0.00 C ATOM 671 C GLN A 49 2.024 5.739 -14.325 1.00 0.00 C ATOM 672 O GLN A 49 1.084 6.487 -14.590 1.00 0.00 O ATOM 673 CB GLN A 49 3.488 4.456 -15.897 1.00 0.00 C ATOM 674 CG GLN A 49 4.603 4.489 -16.928 1.00 0.00 C ATOM 675 CD GLN A 49 4.280 5.382 -18.110 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.318 6.151 -18.077 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.083 5.285 -19.163 1.00 0.00 N ATOM 0 H GLN A 49 4.917 5.197 -13.932 1.00 0.00 H new ATOM 0 HA GLN A 49 3.233 6.590 -15.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.693 3.663 -15.177 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.552 4.201 -16.394 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.520 4.838 -16.454 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.793 3.477 -17.284 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.868 4.634 -19.147 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.914 5.861 -19.988 1.00 0.00 H new ATOM 686 N ASN A 50 1.992 4.862 -13.327 1.00 0.00 N ATOM 687 CA ASN A 50 0.822 4.725 -12.466 1.00 0.00 C ATOM 688 C ASN A 50 1.229 4.315 -11.055 1.00 0.00 C ATOM 689 O ASN A 50 2.368 3.909 -10.819 1.00 0.00 O ATOM 690 CB ASN A 50 -0.148 3.695 -13.049 1.00 0.00 C ATOM 691 CG ASN A 50 0.134 2.290 -12.554 1.00 0.00 C ATOM 692 OD1 ASN A 50 1.069 1.634 -13.014 1.00 0.00 O ATOM 693 ND2 ASN A 50 -0.675 1.822 -11.611 1.00 0.00 N ATOM 0 H ASN A 50 2.763 4.235 -13.094 1.00 0.00 H new ATOM 0 HA ASN A 50 0.325 5.694 -12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.169 3.972 -12.786 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.083 3.714 -14.137 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.534 0.883 -11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.437 2.401 -11.259 1.00 0.00 H new ATOM 700 N TYR A 51 0.292 4.423 -10.120 1.00 0.00 N ATOM 701 CA TYR A 51 0.554 4.065 -8.731 1.00 0.00 C ATOM 702 C TYR A 51 -0.278 2.855 -8.314 1.00 0.00 C ATOM 703 O TYR A 51 -1.502 2.851 -8.451 1.00 0.00 O ATOM 704 CB TYR A 51 0.249 5.248 -7.811 1.00 0.00 C ATOM 705 CG TYR A 51 1.328 6.308 -7.810 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.538 6.094 -7.161 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.137 7.522 -8.458 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.526 7.059 -7.157 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.121 8.492 -8.460 1.00 0.00 C ATOM 710 CZ TYR A 51 3.313 8.256 -7.808 1.00 0.00 C ATOM 711 OH TYR A 51 4.295 9.221 -7.807 1.00 0.00 O ATOM 0 H TYR A 51 -0.656 4.755 -10.298 1.00 0.00 H new ATOM 0 HA TYR A 51 1.609 3.807 -8.642 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.694 5.701 -8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.111 4.881 -6.794 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.709 5.157 -6.651 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.204 7.711 -8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.460 6.877 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.957 9.430 -8.970 1.00 0.00 H new ATOM 0 HH TYR A 51 4.096 9.891 -8.494 1.00 0.00 H new ATOM 721 N LYS A 52 0.395 1.830 -7.803 1.00 0.00 N ATOM 722 CA LYS A 52 -0.279 0.614 -7.364 1.00 0.00 C ATOM 723 C LYS A 52 -0.460 0.610 -5.849 1.00 0.00 C ATOM 724 O LYS A 52 0.481 0.873 -5.100 1.00 0.00 O ATOM 725 CB LYS A 52 0.517 -0.619 -7.796 1.00 0.00 C ATOM 726 CG LYS A 52 -0.314 -1.890 -7.853 1.00 0.00 C ATOM 727 CD LYS A 52 -1.281 -1.871 -9.024 1.00 0.00 C ATOM 728 CE LYS A 52 -0.576 -2.183 -10.335 1.00 0.00 C ATOM 729 NZ LYS A 52 -0.133 -3.603 -10.403 1.00 0.00 N ATOM 0 H LYS A 52 1.408 1.817 -7.683 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.264 0.585 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.952 -0.435 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.346 -0.767 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.346 -2.754 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.870 -2.004 -6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.074 -2.599 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.756 -0.892 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.247 -1.972 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.288 -1.528 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.906 -3.644 -10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.518 -4.126 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.477 -4.032 -11.286 1.00 0.00 H new ATOM 743 N LEU A 53 -1.675 0.309 -5.405 1.00 0.00 N ATOM 744 CA LEU A 53 -1.980 0.268 -3.978 1.00 0.00 C ATOM 745 C LEU A 53 -2.619 -1.062 -3.595 1.00 0.00 C ATOM 746 O LEU A 53 -3.708 -1.397 -4.062 1.00 0.00 O ATOM 747 CB LEU A 53 -2.912 1.422 -3.603 1.00 0.00 C ATOM 748 CG LEU A 53 -3.554 1.342 -2.218 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.496 1.464 -1.132 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.612 2.424 -2.057 1.00 0.00 C ATOM 0 H LEU A 53 -2.465 0.090 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.044 0.371 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.349 2.353 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.706 1.478 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.038 0.370 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.971 1.405 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.774 0.654 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.983 2.421 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.058 2.352 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.151 3.404 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.386 2.292 -2.813 1.00 0.00 H new ATOM 762 N TYR A 54 -1.936 -1.817 -2.742 1.00 0.00 N ATOM 763 CA TYR A 54 -2.437 -3.112 -2.296 1.00 0.00 C ATOM 764 C TYR A 54 -3.094 -2.998 -0.924 1.00 0.00 C ATOM 765 O TYR A 54 -2.813 -2.072 -0.163 1.00 0.00 O ATOM 766 CB TYR A 54 -1.299 -4.133 -2.246 1.00 0.00 C ATOM 767 CG TYR A 54 -0.661 -4.394 -3.592 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.025 -3.376 -4.291 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.694 -5.661 -4.164 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.558 -3.611 -5.521 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.112 -5.905 -5.392 1.00 0.00 C ATOM 772 CZ TYR A 54 0.512 -4.877 -6.068 1.00 0.00 C ATOM 773 OH TYR A 54 1.094 -5.115 -7.292 1.00 0.00 O ATOM 0 H TYR A 54 -1.034 -1.555 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.187 -3.449 -3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.535 -3.780 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.682 -5.072 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.014 -2.384 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.183 -6.468 -3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.047 -2.808 -6.052 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.145 -6.896 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 54 0.974 -6.057 -7.534 1.00 0.00 H new ATOM 783 N TYR A 55 -3.970 -3.948 -0.614 1.00 0.00 N ATOM 784 CA TYR A 55 -4.669 -3.955 0.665 1.00 0.00 C ATOM 785 C TYR A 55 -5.118 -5.367 1.032 1.00 0.00 C ATOM 786 O TYR A 55 -5.611 -6.112 0.187 1.00 0.00 O ATOM 787 CB TYR A 55 -5.878 -3.020 0.614 1.00 0.00 C ATOM 788 CG TYR A 55 -6.933 -3.448 -0.381 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.699 -3.367 -1.748 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.164 -3.932 0.045 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.660 -3.756 -2.662 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.130 -4.324 -0.861 1.00 0.00 C ATOM 793 CZ TYR A 55 -8.873 -4.234 -2.213 1.00 0.00 C ATOM 794 OH TYR A 55 -9.834 -4.623 -3.119 1.00 0.00 O ATOM 0 H TYR A 55 -4.212 -4.723 -1.231 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.978 -3.602 1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.327 -2.966 1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.539 -2.015 0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.750 -2.994 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.369 -4.003 1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.462 -3.686 -3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.081 -4.699 -0.513 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.629 -4.936 -2.639 1.00 0.00 H new ATOM 804 N MET A 56 -4.943 -5.725 2.300 1.00 0.00 N ATOM 805 CA MET A 56 -5.331 -7.046 2.781 1.00 0.00 C ATOM 806 C MET A 56 -5.597 -7.021 4.283 1.00 0.00 C ATOM 807 O MET A 56 -5.165 -6.105 4.983 1.00 0.00 O ATOM 808 CB MET A 56 -4.241 -8.070 2.461 1.00 0.00 C ATOM 809 CG MET A 56 -3.200 -8.213 3.560 1.00 0.00 C ATOM 810 SD MET A 56 -1.655 -8.927 2.965 1.00 0.00 S ATOM 811 CE MET A 56 -1.305 -10.107 4.266 1.00 0.00 C ATOM 0 H MET A 56 -4.535 -5.119 3.012 1.00 0.00 H new ATOM 0 HA MET A 56 -6.250 -7.335 2.272 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.706 -9.040 2.284 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.743 -7.781 1.535 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.999 -7.234 3.995 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.602 -8.839 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.227 -10.180 4.410 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.774 -9.776 5.193 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.701 -11.084 3.988 1.00 0.00 H new ATOM 821 N GLU A 57 -6.310 -8.032 4.770 1.00 0.00 N ATOM 822 CA GLU A 57 -6.633 -8.123 6.189 1.00 0.00 C ATOM 823 C GLU A 57 -5.518 -8.828 6.957 1.00 0.00 C ATOM 824 O GLU A 57 -5.068 -9.907 6.571 1.00 0.00 O ATOM 825 CB GLU A 57 -7.954 -8.870 6.387 1.00 0.00 C ATOM 826 CG GLU A 57 -8.295 -9.127 7.845 1.00 0.00 C ATOM 827 CD GLU A 57 -9.109 -10.392 8.040 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.102 -10.577 7.305 1.00 0.00 O ATOM 829 OE2 GLU A 57 -8.754 -11.196 8.926 1.00 0.00 O ATOM 0 H GLU A 57 -6.674 -8.798 4.204 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.734 -7.110 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.759 -8.294 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.905 -9.823 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.373 -9.200 8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.852 -8.277 8.239 1.00 0.00 H new ATOM 836 N LYS A 58 -5.075 -8.209 8.046 1.00 0.00 N ATOM 837 CA LYS A 58 -4.014 -8.775 8.870 1.00 0.00 C ATOM 838 C LYS A 58 -4.354 -10.200 9.292 1.00 0.00 C ATOM 839 O LYS A 58 -4.998 -10.417 10.318 1.00 0.00 O ATOM 840 CB LYS A 58 -3.783 -7.906 10.109 1.00 0.00 C ATOM 841 CG LYS A 58 -2.352 -7.939 10.617 1.00 0.00 C ATOM 842 CD LYS A 58 -1.425 -7.128 9.727 1.00 0.00 C ATOM 843 CE LYS A 58 0.013 -7.611 9.833 1.00 0.00 C ATOM 844 NZ LYS A 58 0.987 -6.515 9.570 1.00 0.00 N ATOM 0 H LYS A 58 -5.435 -7.314 8.379 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.101 -8.799 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.053 -6.876 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.450 -8.238 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.317 -7.547 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.004 -8.971 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.758 -7.199 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.478 -6.076 10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.186 -8.020 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.177 -8.421 9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.956 -6.884 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.839 -6.142 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.848 -5.753 10.264 1.00 0.00 H new ATOM 858 N GLY A 59 -3.915 -11.170 8.495 1.00 0.00 N ATOM 859 CA GLY A 59 -4.182 -12.562 8.804 1.00 0.00 C ATOM 860 C GLY A 59 -4.913 -13.275 7.684 1.00 0.00 C ATOM 861 O GLY A 59 -5.814 -14.077 7.932 1.00 0.00 O ATOM 0 H GLY A 59 -3.379 -11.016 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.240 -13.074 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.776 -12.621 9.716 1.00 0.00 H new ATOM 865 N THR A 60 -4.527 -12.982 6.446 1.00 0.00 N ATOM 866 CA THR A 60 -5.154 -13.598 5.284 1.00 0.00 C ATOM 867 C THR A 60 -4.113 -14.232 4.369 1.00 0.00 C ATOM 868 O THR A 60 -4.361 -15.271 3.757 1.00 0.00 O ATOM 869 CB THR A 60 -5.972 -12.572 4.477 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.485 -11.559 5.350 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.122 -13.250 3.748 1.00 0.00 C ATOM 0 H THR A 60 -3.783 -12.321 6.223 1.00 0.00 H new ATOM 0 HA THR A 60 -5.824 -14.372 5.660 1.00 0.00 H new ATOM 0 HB THR A 60 -5.313 -12.115 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.798 -10.876 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.685 -12.506 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.727 -14.000 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.779 -13.731 4.473 1.00 0.00 H new ATOM 879 N ASP A 61 -2.947 -13.602 4.281 1.00 0.00 N ATOM 880 CA ASP A 61 -1.866 -14.106 3.442 1.00 0.00 C ATOM 881 C ASP A 61 -2.189 -13.910 1.964 1.00 0.00 C ATOM 882 O ASP A 61 -1.686 -14.635 1.105 1.00 0.00 O ATOM 883 CB ASP A 61 -1.617 -15.587 3.730 1.00 0.00 C ATOM 884 CG ASP A 61 -0.221 -16.027 3.335 1.00 0.00 C ATOM 885 OD1 ASP A 61 0.749 -15.568 3.975 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.098 -16.830 2.387 1.00 0.00 O ATOM 0 H ASP A 61 -2.726 -12.741 4.781 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.964 -13.541 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.768 -15.778 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.350 -16.187 3.191 1.00 0.00 H new ATOM 891 N LYS A 62 -3.033 -12.925 1.673 1.00 0.00 N ATOM 892 CA LYS A 62 -3.424 -12.632 0.300 1.00 0.00 C ATOM 893 C LYS A 62 -3.818 -11.166 0.147 1.00 0.00 C ATOM 894 O LYS A 62 -4.792 -10.711 0.746 1.00 0.00 O ATOM 895 CB LYS A 62 -4.587 -13.531 -0.124 1.00 0.00 C ATOM 896 CG LYS A 62 -5.199 -13.145 -1.460 1.00 0.00 C ATOM 897 CD LYS A 62 -4.493 -13.833 -2.616 1.00 0.00 C ATOM 898 CE LYS A 62 -5.114 -15.186 -2.923 1.00 0.00 C ATOM 899 NZ LYS A 62 -4.523 -16.270 -2.090 1.00 0.00 N ATOM 0 H LYS A 62 -3.459 -12.316 2.371 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.567 -12.829 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.237 -14.562 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.360 -13.497 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.256 -13.411 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.142 -12.064 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.542 -13.200 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.438 -13.962 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.189 -15.140 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.971 -15.420 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.615 -17.179 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.517 -16.068 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.024 -16.321 -1.180 1.00 0.00 H new ATOM 913 N GLU A 63 -3.057 -10.434 -0.660 1.00 0.00 N ATOM 914 CA GLU A 63 -3.329 -9.020 -0.890 1.00 0.00 C ATOM 915 C GLU A 63 -3.823 -8.787 -2.315 1.00 0.00 C ATOM 916 O GLU A 63 -3.594 -9.606 -3.204 1.00 0.00 O ATOM 917 CB GLU A 63 -2.071 -8.187 -0.632 1.00 0.00 C ATOM 918 CG GLU A 63 -1.038 -8.284 -1.742 1.00 0.00 C ATOM 919 CD GLU A 63 -0.186 -9.534 -1.638 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.003 -10.032 -0.509 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.293 -10.014 -2.687 1.00 0.00 O ATOM 0 H GLU A 63 -2.248 -10.796 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.110 -8.709 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.357 -7.143 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.617 -8.511 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.545 -8.274 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.393 -7.406 -1.711 1.00 0.00 H new ATOM 928 N GLN A 64 -4.503 -7.663 -2.523 1.00 0.00 N ATOM 929 CA GLN A 64 -5.031 -7.323 -3.838 1.00 0.00 C ATOM 930 C GLN A 64 -4.338 -6.085 -4.399 1.00 0.00 C ATOM 931 O GLN A 64 -3.427 -5.537 -3.779 1.00 0.00 O ATOM 932 CB GLN A 64 -6.540 -7.086 -3.760 1.00 0.00 C ATOM 933 CG GLN A 64 -7.360 -8.365 -3.815 1.00 0.00 C ATOM 934 CD GLN A 64 -7.732 -8.760 -5.230 1.00 0.00 C ATOM 935 OE1 GLN A 64 -6.954 -9.410 -5.930 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.926 -8.368 -5.660 1.00 0.00 N ATOM 0 H GLN A 64 -4.701 -6.974 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.837 -8.161 -4.507 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.769 -6.557 -2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.840 -6.436 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.795 -9.174 -3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.269 -8.235 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.538 -7.831 -5.046 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.231 -8.604 -6.604 1.00 0.00 H new ATOM 945 N ASP A 65 -4.776 -5.650 -5.575 1.00 0.00 N ATOM 946 CA ASP A 65 -4.199 -4.476 -6.220 1.00 0.00 C ATOM 947 C ASP A 65 -5.288 -3.605 -6.838 1.00 0.00 C ATOM 948 O ASP A 65 -6.146 -4.093 -7.573 1.00 0.00 O ATOM 949 CB ASP A 65 -3.196 -4.899 -7.294 1.00 0.00 C ATOM 950 CG ASP A 65 -3.854 -5.138 -8.639 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.584 -6.142 -8.773 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.640 -4.319 -9.557 1.00 0.00 O ATOM 0 H ASP A 65 -5.529 -6.093 -6.102 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.680 -3.892 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.433 -4.128 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.688 -5.809 -6.974 1.00 0.00 H new ATOM 957 N VAL A 66 -5.248 -2.311 -6.533 1.00 0.00 N ATOM 958 CA VAL A 66 -6.231 -1.372 -7.059 1.00 0.00 C ATOM 959 C VAL A 66 -5.557 -0.258 -7.852 1.00 0.00 C ATOM 960 O VAL A 66 -4.665 0.426 -7.348 1.00 0.00 O ATOM 961 CB VAL A 66 -7.070 -0.747 -5.928 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.053 -1.764 -5.368 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.166 -0.206 -4.831 1.00 0.00 C ATOM 0 H VAL A 66 -4.546 -1.890 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.888 -1.938 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.641 0.085 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.637 -1.305 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.722 -2.098 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.505 -2.619 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.775 0.232 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.567 -1.018 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.507 0.557 -5.246 1.00 0.00 H new ATOM 973 N ASP A 67 -5.989 -0.079 -9.095 1.00 0.00 N ATOM 974 CA ASP A 67 -5.429 0.953 -9.959 1.00 0.00 C ATOM 975 C ASP A 67 -5.886 2.340 -9.515 1.00 0.00 C ATOM 976 O ASP A 67 -7.079 2.642 -9.519 1.00 0.00 O ATOM 977 CB ASP A 67 -5.837 0.709 -11.413 1.00 0.00 C ATOM 978 CG ASP A 67 -7.215 1.259 -11.727 1.00 0.00 C ATOM 979 OD1 ASP A 67 -7.307 2.438 -12.128 1.00 0.00 O ATOM 980 OD2 ASP A 67 -8.201 0.509 -11.573 1.00 0.00 O ATOM 0 H ASP A 67 -6.726 -0.636 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.343 0.906 -9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.105 1.171 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.821 -0.362 -11.617 1.00 0.00 H new ATOM 985 N VAL A 68 -4.928 3.178 -9.131 1.00 0.00 N ATOM 986 CA VAL A 68 -5.232 4.532 -8.685 1.00 0.00 C ATOM 987 C VAL A 68 -4.487 5.567 -9.521 1.00 0.00 C ATOM 988 O VAL A 68 -3.451 5.270 -10.115 1.00 0.00 O ATOM 989 CB VAL A 68 -4.868 4.729 -7.201 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.141 6.161 -6.769 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.634 3.745 -6.330 1.00 0.00 C ATOM 0 H VAL A 68 -3.936 2.943 -9.120 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.306 4.673 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.802 4.535 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.878 6.280 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.543 6.843 -7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.198 6.387 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.365 3.898 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.705 3.905 -6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.382 2.726 -6.624 1.00 0.00 H new ATOM 1001 N SER A 69 -5.022 6.783 -9.561 1.00 0.00 N ATOM 1002 CA SER A 69 -4.410 7.862 -10.328 1.00 0.00 C ATOM 1003 C SER A 69 -3.894 8.960 -9.403 1.00 0.00 C ATOM 1004 O SER A 69 -2.846 9.556 -9.652 1.00 0.00 O ATOM 1005 CB SER A 69 -5.417 8.447 -11.320 1.00 0.00 C ATOM 1006 OG SER A 69 -6.534 9.000 -10.647 1.00 0.00 O ATOM 0 H SER A 69 -5.877 7.046 -9.072 1.00 0.00 H new ATOM 0 HA SER A 69 -3.566 7.449 -10.880 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.934 9.217 -11.922 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.751 7.668 -12.006 1.00 0.00 H new ATOM 0 HG SER A 69 -7.162 9.369 -11.303 1.00 0.00 H new ATOM 1012 N SER A 70 -4.639 9.223 -8.334 1.00 0.00 N ATOM 1013 CA SER A 70 -4.261 10.252 -7.372 1.00 0.00 C ATOM 1014 C SER A 70 -3.359 9.675 -6.285 1.00 0.00 C ATOM 1015 O SER A 70 -3.311 8.461 -6.082 1.00 0.00 O ATOM 1016 CB SER A 70 -5.508 10.873 -6.740 1.00 0.00 C ATOM 1017 OG SER A 70 -6.122 11.796 -7.624 1.00 0.00 O ATOM 0 H SER A 70 -5.508 8.738 -8.112 1.00 0.00 H new ATOM 0 HA SER A 70 -3.709 11.026 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.217 10.087 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.237 11.378 -5.813 1.00 0.00 H new ATOM 0 HG SER A 70 -6.917 12.178 -7.198 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.647 10.554 -5.588 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.747 10.133 -4.520 1.00 0.00 C ATOM 1025 C HIS A 71 -2.531 9.574 -3.336 1.00 0.00 C ATOM 1026 O HIS A 71 -2.071 8.664 -2.647 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.879 11.306 -4.063 1.00 0.00 C ATOM 1028 CG HIS A 71 0.188 11.680 -5.046 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.019 12.571 -6.077 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.476 11.278 -5.150 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.097 12.701 -6.774 1.00 0.00 C ATOM 1032 NE2 HIS A 71 2.019 11.927 -6.231 1.00 0.00 N ATOM 0 H HIS A 71 -2.675 11.562 -5.743 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.104 9.345 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.517 12.172 -3.885 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.412 11.053 -3.111 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.982 10.577 -4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.232 13.332 -7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.979 11.828 -6.561 1.00 0.00 H new ATOM 1041 N SER A 72 -3.718 10.127 -3.106 1.00 0.00 N ATOM 1042 CA SER A 72 -4.565 9.687 -2.003 1.00 0.00 C ATOM 1043 C SER A 72 -5.819 8.991 -2.525 1.00 0.00 C ATOM 1044 O SER A 72 -6.548 9.540 -3.351 1.00 0.00 O ATOM 1045 CB SER A 72 -4.956 10.878 -1.127 1.00 0.00 C ATOM 1046 OG SER A 72 -5.747 11.806 -1.850 1.00 0.00 O ATOM 0 H SER A 72 -4.115 10.880 -3.668 1.00 0.00 H new ATOM 0 HA SER A 72 -3.998 8.975 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.508 10.526 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.057 11.372 -0.757 1.00 0.00 H new ATOM 0 HG SER A 72 -6.323 11.324 -2.479 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.062 7.781 -2.036 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.226 7.008 -2.453 1.00 0.00 C ATOM 1054 C TYR A 73 -8.058 6.581 -1.248 1.00 0.00 C ATOM 1055 O TYR A 73 -7.585 6.606 -0.111 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.788 5.776 -3.247 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.942 4.953 -3.773 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.647 5.350 -4.903 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.327 3.777 -3.141 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.702 4.602 -5.386 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.381 3.021 -3.619 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.065 3.438 -4.741 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.115 2.689 -5.220 1.00 0.00 O ATOM 0 H TYR A 73 -5.469 7.314 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.842 7.643 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.169 6.096 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.164 5.147 -2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.365 6.260 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.794 3.448 -2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.240 4.926 -6.264 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.667 2.109 -3.116 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.240 1.900 -4.652 1.00 0.00 H new ATOM 1073 N THR A 74 -9.301 6.187 -1.504 1.00 0.00 N ATOM 1074 CA THR A 74 -10.201 5.754 -0.442 1.00 0.00 C ATOM 1075 C THR A 74 -10.771 4.371 -0.734 1.00 0.00 C ATOM 1076 O THR A 74 -11.438 4.166 -1.749 1.00 0.00 O ATOM 1077 CB THR A 74 -11.363 6.747 -0.251 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.850 8.058 0.011 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.264 6.311 0.895 1.00 0.00 C ATOM 0 H THR A 74 -9.708 6.159 -2.439 1.00 0.00 H new ATOM 0 HA THR A 74 -9.613 5.715 0.475 1.00 0.00 H new ATOM 0 HB THR A 74 -11.951 6.765 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.595 8.683 0.129 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.077 7.027 1.011 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.676 5.325 0.679 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.684 6.267 1.817 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.506 3.426 0.162 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.995 2.063 0.000 1.00 0.00 C ATOM 1089 C ILE A 75 -12.203 1.802 0.894 1.00 0.00 C ATOM 1090 O ILE A 75 -12.083 1.751 2.117 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.899 1.030 0.323 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.736 1.163 -0.662 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.473 -0.379 0.286 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.547 0.295 -0.314 1.00 0.00 C ATOM 0 H ILE A 75 -9.956 3.579 1.007 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.289 1.955 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.523 1.223 1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.085 0.903 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.417 2.205 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.687 -1.098 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.272 -0.466 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.872 -0.583 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.761 0.441 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.172 0.570 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.850 -0.752 -0.308 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.367 1.637 0.274 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.597 1.380 1.013 1.00 0.00 C ATOM 1108 C ASN A 76 -15.000 -0.087 0.906 1.00 0.00 C ATOM 1109 O ASN A 76 -14.618 -0.780 -0.037 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.726 2.270 0.491 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.641 2.493 -1.007 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.855 1.572 -1.796 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.325 3.720 -1.406 1.00 0.00 N ATOM 0 H ASN A 76 -13.484 1.677 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.416 1.613 2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.686 1.814 0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.692 3.233 1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.251 3.929 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.156 4.453 -0.717 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.776 -0.555 1.879 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.219 -1.937 1.875 1.00 0.00 C ATOM 1122 C GLY A 77 -15.356 -2.826 2.749 1.00 0.00 C ATOM 1123 O GLY A 77 -14.974 -3.925 2.345 1.00 0.00 O ATOM 0 H GLY A 77 -16.106 -0.002 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.252 -1.985 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.207 -2.316 0.853 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.045 -2.349 3.949 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.219 -3.107 4.883 1.00 0.00 C ATOM 1129 C LEU A 78 -14.969 -3.369 6.184 1.00 0.00 C ATOM 1130 O LEU A 78 -16.042 -2.813 6.418 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.920 -2.353 5.173 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.167 -1.819 3.954 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.028 -0.909 4.386 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.641 -2.968 3.106 1.00 0.00 C ATOM 0 H LEU A 78 -15.352 -1.441 4.298 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.981 -4.066 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.149 -1.514 5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.254 -3.016 5.725 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.862 -1.236 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.504 -0.539 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.429 -0.067 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.333 -1.468 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.108 -2.569 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.962 -3.579 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.476 -3.581 2.765 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.397 -4.219 7.030 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.009 -4.554 8.311 1.00 0.00 C ATOM 1148 C LYS A 79 -14.721 -3.475 9.350 1.00 0.00 C ATOM 1149 O LYS A 79 -13.884 -2.597 9.134 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.493 -5.906 8.808 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.204 -7.095 8.184 1.00 0.00 C ATOM 1152 CD LYS A 79 -15.125 -8.323 9.075 1.00 0.00 C ATOM 1153 CE LYS A 79 -13.841 -9.103 8.836 1.00 0.00 C ATOM 1154 NZ LYS A 79 -13.899 -9.892 7.574 1.00 0.00 N ATOM 0 H LYS A 79 -13.510 -4.689 6.852 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.087 -4.615 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.426 -5.979 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.606 -5.953 9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.249 -6.842 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.759 -7.319 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.178 -8.019 10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.984 -8.967 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.999 -8.412 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.662 -9.774 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.066 -10.512 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.763 -10.471 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.908 -9.245 6.760 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.417 -3.546 10.479 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.235 -2.578 11.554 1.00 0.00 C ATOM 1170 C LYS A 80 -14.193 -3.066 12.555 1.00 0.00 C ATOM 1171 O LYS A 80 -14.061 -4.267 12.792 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.564 -2.322 12.268 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.662 -1.820 11.348 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.492 -2.966 10.793 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.529 -2.473 9.796 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.145 -3.595 9.035 1.00 0.00 N ATOM 0 H LYS A 80 -16.114 -4.265 10.674 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.881 -1.646 11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.895 -3.245 12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.405 -1.593 13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.308 -1.132 11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.220 -1.258 10.525 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.836 -3.690 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.991 -3.485 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.307 -1.922 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.061 -1.776 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.846 -3.217 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.406 -4.106 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.613 -4.247 9.696 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.456 -2.128 13.140 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.425 -2.463 14.115 1.00 0.00 C ATOM 1192 C TYR A 81 -11.603 -3.661 13.649 1.00 0.00 C ATOM 1193 O TYR A 81 -11.439 -4.640 14.377 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.058 -2.764 15.475 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.150 -2.463 16.645 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.815 -1.155 16.972 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.628 -3.487 17.426 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.985 -0.875 18.040 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.798 -3.217 18.497 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.479 -1.910 18.800 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.653 -1.635 19.865 1.00 0.00 O ATOM 0 H TYR A 81 -13.554 -1.130 12.956 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.761 -1.604 14.212 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.974 -2.181 15.577 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.344 -3.815 15.509 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.211 -0.343 16.381 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.875 -4.512 17.192 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.733 0.148 18.279 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.401 -4.025 19.094 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.385 -2.473 20.296 1.00 0.00 H new ATOM 1211 N THR A 82 -11.086 -3.575 12.427 1.00 0.00 N ATOM 1212 CA THR A 82 -10.280 -4.650 11.861 1.00 0.00 C ATOM 1213 C THR A 82 -9.011 -4.105 11.215 1.00 0.00 C ATOM 1214 O THR A 82 -9.057 -3.136 10.458 1.00 0.00 O ATOM 1215 CB THR A 82 -11.072 -5.453 10.811 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.226 -6.046 11.417 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.204 -6.537 10.191 1.00 0.00 C ATOM 0 H THR A 82 -11.211 -2.772 11.810 1.00 0.00 H new ATOM 0 HA THR A 82 -10.010 -5.310 12.686 1.00 0.00 H new ATOM 0 HB THR A 82 -11.387 -4.768 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.772 -5.347 11.835 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.785 -7.090 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.342 -6.080 9.706 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.862 -7.219 10.969 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.881 -4.734 11.520 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.599 -4.310 10.969 1.00 0.00 C ATOM 1227 C GLU A 83 -6.528 -4.599 9.472 1.00 0.00 C ATOM 1228 O GLU A 83 -7.166 -5.530 8.978 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.450 -5.016 11.690 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.165 -4.206 11.727 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.150 -4.766 12.705 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.561 -5.217 13.795 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -1.944 -4.752 12.381 1.00 0.00 O ATOM 0 H GLU A 83 -7.827 -5.538 12.145 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.506 -3.234 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.757 -5.241 12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.255 -5.969 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.727 -4.181 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.397 -3.176 11.999 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.750 -3.795 8.756 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.598 -3.962 7.316 1.00 0.00 C ATOM 1242 C TYR A 84 -4.240 -3.446 6.848 1.00 0.00 C ATOM 1243 O TYR A 84 -3.855 -2.317 7.150 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.717 -3.228 6.575 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.036 -3.967 6.585 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.257 -5.046 5.738 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.061 -3.588 7.443 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.461 -5.724 5.743 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.268 -4.261 7.456 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.463 -5.328 6.604 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.663 -6.001 6.614 1.00 0.00 O ATOM 0 H TYR A 84 -5.215 -3.021 9.150 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.660 -5.027 7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.857 -2.246 7.026 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.410 -3.063 5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.474 -5.360 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.912 -2.753 8.111 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.617 -6.559 5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.054 -3.953 8.130 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.679 -6.629 7.366 1.00 0.00 H new ATOM 1261 N SER A 85 -3.520 -4.283 6.109 1.00 0.00 N ATOM 1262 CA SER A 85 -2.203 -3.915 5.601 1.00 0.00 C ATOM 1263 C SER A 85 -2.325 -3.105 4.314 1.00 0.00 C ATOM 1264 O SER A 85 -3.291 -3.248 3.565 1.00 0.00 O ATOM 1265 CB SER A 85 -1.361 -5.168 5.350 1.00 0.00 C ATOM 1266 OG SER A 85 0.021 -4.888 5.485 1.00 0.00 O ATOM 0 H SER A 85 -3.826 -5.221 5.848 1.00 0.00 H new ATOM 0 HA SER A 85 -1.710 -3.299 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.647 -5.950 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.562 -5.551 4.349 1.00 0.00 H new ATOM 0 HG SER A 85 0.330 -5.182 6.367 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.337 -2.252 4.064 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.332 -1.416 2.869 1.00 0.00 C ATOM 1274 C PHE A 86 0.091 -1.193 2.367 1.00 0.00 C ATOM 1275 O PHE A 86 1.003 -0.927 3.150 1.00 0.00 O ATOM 1276 CB PHE A 86 -1.999 -0.070 3.159 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.478 -0.174 3.399 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.354 -0.362 2.341 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.993 -0.083 4.682 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.715 -0.456 2.560 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.354 -0.178 4.907 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.216 -0.365 3.844 1.00 0.00 C ATOM 0 H PHE A 86 -0.529 -2.121 4.673 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.896 -1.933 2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.528 0.379 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.821 0.603 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.968 -0.436 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.323 0.064 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.387 -0.601 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.742 -0.106 5.912 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.280 -0.440 4.016 1.00 0.00 H new ATOM 1292 N ARG A 87 0.274 -1.305 1.055 1.00 0.00 N ATOM 1293 CA ARG A 87 1.586 -1.118 0.448 1.00 0.00 C ATOM 1294 C ARG A 87 1.459 -0.507 -0.945 1.00 0.00 C ATOM 1295 O ARG A 87 0.640 -0.944 -1.753 1.00 0.00 O ATOM 1296 CB ARG A 87 2.329 -2.453 0.365 1.00 0.00 C ATOM 1297 CG ARG A 87 1.619 -3.493 -0.486 1.00 0.00 C ATOM 1298 CD ARG A 87 2.472 -4.738 -0.671 1.00 0.00 C ATOM 1299 NE ARG A 87 1.932 -5.623 -1.700 1.00 0.00 N ATOM 1300 CZ ARG A 87 2.629 -6.602 -2.267 1.00 0.00 C ATOM 1301 NH1 ARG A 87 3.886 -6.819 -1.907 1.00 0.00 N ATOM 1302 NH2 ARG A 87 2.068 -7.365 -3.196 1.00 0.00 N ATOM 0 H ARG A 87 -0.470 -1.524 0.392 1.00 0.00 H new ATOM 0 HA ARG A 87 2.154 -0.432 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.325 -2.280 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.461 -2.849 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.674 -3.765 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.380 -3.066 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.487 -4.445 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.536 -5.277 0.274 1.00 0.00 H new ATOM 0 HE ARG A 87 0.967 -5.482 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.320 -6.234 -1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.419 -7.571 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.101 -7.200 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.604 -8.116 -3.631 1.00 0.00 H new ATOM 1316 N VAL A 88 2.274 0.506 -1.218 1.00 0.00 N ATOM 1317 CA VAL A 88 2.253 1.177 -2.512 1.00 0.00 C ATOM 1318 C VAL A 88 3.481 0.813 -3.340 1.00 0.00 C ATOM 1319 O VAL A 88 4.578 0.651 -2.804 1.00 0.00 O ATOM 1320 CB VAL A 88 2.191 2.707 -2.351 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.292 3.392 -3.705 1.00 0.00 C ATOM 1322 CG2 VAL A 88 0.915 3.116 -1.631 1.00 0.00 C ATOM 0 H VAL A 88 2.958 0.880 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 88 1.356 0.838 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 88 3.040 3.025 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.246 4.473 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.237 3.125 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.465 3.070 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.888 4.201 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.050 2.786 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.891 2.655 -0.643 1.00 0.00 H new ATOM 1332 N VAL A 89 3.290 0.688 -4.649 1.00 0.00 N ATOM 1333 CA VAL A 89 4.383 0.345 -5.552 1.00 0.00 C ATOM 1334 C VAL A 89 4.401 1.266 -6.767 1.00 0.00 C ATOM 1335 O VAL A 89 3.356 1.574 -7.340 1.00 0.00 O ATOM 1336 CB VAL A 89 4.279 -1.115 -6.029 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.388 -1.433 -7.020 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.323 -2.067 -4.843 1.00 0.00 C ATOM 0 H VAL A 89 2.389 0.819 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 89 5.309 0.471 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 89 3.323 -1.247 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.298 -2.469 -7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.305 -0.772 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.356 -1.286 -6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.248 -3.095 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.262 -1.936 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.490 -1.853 -4.174 1.00 0.00 H new ATOM 1348 N ALA A 90 5.595 1.701 -7.155 1.00 0.00 N ATOM 1349 CA ALA A 90 5.749 2.584 -8.304 1.00 0.00 C ATOM 1350 C ALA A 90 5.932 1.785 -9.590 1.00 0.00 C ATOM 1351 O ALA A 90 6.819 0.937 -9.685 1.00 0.00 O ATOM 1352 CB ALA A 90 6.927 3.524 -8.093 1.00 0.00 C ATOM 0 H ALA A 90 6.470 1.456 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 90 4.839 3.175 -8.401 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.030 4.178 -8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.756 4.127 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.840 2.941 -7.967 1.00 0.00 H new ATOM 1358 N TYR A 91 5.086 2.060 -10.577 1.00 0.00 N ATOM 1359 CA TYR A 91 5.152 1.364 -11.857 1.00 0.00 C ATOM 1360 C TYR A 91 5.573 2.316 -12.973 1.00 0.00 C ATOM 1361 O TYR A 91 4.908 3.317 -13.233 1.00 0.00 O ATOM 1362 CB TYR A 91 3.798 0.737 -12.190 1.00 0.00 C ATOM 1363 CG TYR A 91 3.594 -0.627 -11.570 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.189 -0.757 -10.247 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.804 -1.786 -12.307 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.002 -2.001 -9.676 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.618 -3.034 -11.745 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.218 -3.137 -10.429 1.00 0.00 C ATOM 1369 OH TYR A 91 3.031 -4.378 -9.865 1.00 0.00 O ATOM 0 H TYR A 91 4.347 2.760 -10.515 1.00 0.00 H new ATOM 0 HA TYR A 91 5.900 0.575 -11.775 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.005 1.403 -11.851 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.702 0.653 -13.273 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.017 0.130 -9.655 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.118 -1.710 -13.337 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.688 -2.084 -8.646 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.785 -3.924 -12.333 1.00 0.00 H new ATOM 0 HH TYR A 91 2.442 -4.298 -9.086 1.00 0.00 H new ATOM 1379 N ASN A 92 6.683 1.993 -13.629 1.00 0.00 N ATOM 1380 CA ASN A 92 7.194 2.817 -14.718 1.00 0.00 C ATOM 1381 C ASN A 92 7.294 2.012 -16.010 1.00 0.00 C ATOM 1382 O ASN A 92 7.191 0.785 -15.999 1.00 0.00 O ATOM 1383 CB ASN A 92 8.565 3.389 -14.352 1.00 0.00 C ATOM 1384 CG ASN A 92 8.529 4.209 -13.078 1.00 0.00 C ATOM 1385 OD1 ASN A 92 7.499 4.289 -12.407 1.00 0.00 O ATOM 1386 ND2 ASN A 92 9.655 4.824 -12.737 1.00 0.00 N ATOM 0 H ASN A 92 7.245 1.167 -13.425 1.00 0.00 H new ATOM 0 HA ASN A 92 6.496 3.639 -14.877 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.277 2.572 -14.235 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.926 4.011 -15.171 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.690 5.390 -11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.485 4.730 -13.323 1.00 0.00 H new ATOM 1393 N LYS A 93 7.497 2.710 -17.122 1.00 0.00 N ATOM 1394 CA LYS A 93 7.614 2.061 -18.423 1.00 0.00 C ATOM 1395 C LYS A 93 8.505 0.826 -18.337 1.00 0.00 C ATOM 1396 O LYS A 93 8.285 -0.160 -19.041 1.00 0.00 O ATOM 1397 CB LYS A 93 8.179 3.040 -19.455 1.00 0.00 C ATOM 1398 CG LYS A 93 9.594 3.499 -19.147 1.00 0.00 C ATOM 1399 CD LYS A 93 10.245 4.146 -20.358 1.00 0.00 C ATOM 1400 CE LYS A 93 9.949 5.637 -20.419 1.00 0.00 C ATOM 1401 NZ LYS A 93 10.921 6.429 -19.615 1.00 0.00 N ATOM 0 H LYS A 93 7.584 3.726 -17.149 1.00 0.00 H new ATOM 0 HA LYS A 93 6.618 1.747 -18.736 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.165 2.568 -20.437 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.527 3.912 -19.511 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.576 4.209 -18.320 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.192 2.647 -18.823 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.323 3.989 -20.320 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.884 3.665 -21.267 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.978 5.971 -21.456 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.939 5.822 -20.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.685 7.440 -19.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.875 6.128 -18.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.882 6.273 -19.980 1.00 0.00 H new ATOM 1415 N HIS A 94 9.510 0.886 -17.469 1.00 0.00 N ATOM 1416 CA HIS A 94 10.433 -0.229 -17.290 1.00 0.00 C ATOM 1417 C HIS A 94 9.762 -1.374 -16.537 1.00 0.00 C ATOM 1418 O HIS A 94 9.689 -2.498 -17.032 1.00 0.00 O ATOM 1419 CB HIS A 94 11.681 0.231 -16.536 1.00 0.00 C ATOM 1420 CG HIS A 94 12.161 1.589 -16.944 1.00 0.00 C ATOM 1421 ND1 HIS A 94 12.733 1.847 -18.172 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.150 2.769 -16.280 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.055 3.127 -18.245 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.711 3.708 -17.110 1.00 0.00 N ATOM 0 H HIS A 94 9.706 1.695 -16.879 1.00 0.00 H new ATOM 0 HA HIS A 94 10.726 -0.589 -18.276 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.468 0.236 -15.467 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.481 -0.492 -16.698 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.771 2.940 -15.283 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.520 3.615 -19.089 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.841 4.695 -16.886 1.00 0.00 H new ATOM 1433 N GLY A 95 9.274 -1.080 -15.335 1.00 0.00 N ATOM 1434 CA GLY A 95 8.616 -2.095 -14.533 1.00 0.00 C ATOM 1435 C GLY A 95 8.359 -1.635 -13.112 1.00 0.00 C ATOM 1436 O GLY A 95 8.648 -0.496 -12.744 1.00 0.00 O ATOM 0 H GLY A 95 9.323 -0.157 -14.903 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.669 -2.366 -15.001 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.231 -2.994 -14.515 1.00 0.00 H new ATOM 1440 N PRO A 96 7.801 -2.533 -12.287 1.00 0.00 N ATOM 1441 CA PRO A 96 7.491 -2.235 -10.886 1.00 0.00 C ATOM 1442 C PRO A 96 8.746 -2.086 -10.033 1.00 0.00 C ATOM 1443 O PRO A 96 9.621 -2.951 -10.043 1.00 0.00 O ATOM 1444 CB PRO A 96 6.679 -3.452 -10.435 1.00 0.00 C ATOM 1445 CG PRO A 96 7.117 -4.554 -11.336 1.00 0.00 C ATOM 1446 CD PRO A 96 7.429 -3.909 -12.658 1.00 0.00 C ATOM 0 HA PRO A 96 6.961 -1.289 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.875 -3.693 -9.390 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.608 -3.269 -10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.993 -5.062 -10.933 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.334 -5.305 -11.443 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.243 -4.420 -13.173 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.568 -3.926 -13.327 1.00 0.00 H new ATOM 1454 N GLY A 97 8.828 -0.983 -9.295 1.00 0.00 N ATOM 1455 CA GLY A 97 9.981 -0.742 -8.447 1.00 0.00 C ATOM 1456 C GLY A 97 9.834 -1.374 -7.077 1.00 0.00 C ATOM 1457 O GLY A 97 9.113 -2.358 -6.913 1.00 0.00 O ATOM 0 H GLY A 97 8.117 -0.252 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.874 -1.136 -8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.128 0.332 -8.335 1.00 0.00 H new ATOM 1461 N VAL A 98 10.522 -0.809 -6.090 1.00 0.00 N ATOM 1462 CA VAL A 98 10.466 -1.323 -4.727 1.00 0.00 C ATOM 1463 C VAL A 98 9.029 -1.387 -4.222 1.00 0.00 C ATOM 1464 O VAL A 98 8.087 -1.109 -4.964 1.00 0.00 O ATOM 1465 CB VAL A 98 11.299 -0.455 -3.764 1.00 0.00 C ATOM 1466 CG1 VAL A 98 12.722 -0.303 -4.278 1.00 0.00 C ATOM 1467 CG2 VAL A 98 10.644 0.904 -3.572 1.00 0.00 C ATOM 0 H VAL A 98 11.125 0.005 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 98 10.885 -2.329 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 98 11.340 -0.953 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.295 0.313 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.186 -1.286 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.706 0.173 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.245 1.504 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.571 1.412 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.646 0.771 -3.155 1.00 0.00 H new ATOM 1477 N SER A 99 8.868 -1.755 -2.955 1.00 0.00 N ATOM 1478 CA SER A 99 7.545 -1.858 -2.351 1.00 0.00 C ATOM 1479 C SER A 99 7.576 -1.406 -0.894 1.00 0.00 C ATOM 1480 O SER A 99 8.096 -2.106 -0.024 1.00 0.00 O ATOM 1481 CB SER A 99 7.032 -3.297 -2.439 1.00 0.00 C ATOM 1482 OG SER A 99 5.758 -3.422 -1.832 1.00 0.00 O ATOM 0 H SER A 99 9.637 -1.987 -2.327 1.00 0.00 H new ATOM 0 HA SER A 99 6.869 -1.204 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.972 -3.602 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.738 -3.969 -1.951 1.00 0.00 H new ATOM 0 HG SER A 99 5.452 -4.350 -1.903 1.00 0.00 H new ATOM 1488 N THR A 100 7.015 -0.229 -0.635 1.00 0.00 N ATOM 1489 CA THR A 100 6.978 0.319 0.715 1.00 0.00 C ATOM 1490 C THR A 100 6.664 -0.764 1.740 1.00 0.00 C ATOM 1491 O THR A 100 6.041 -1.781 1.433 1.00 0.00 O ATOM 1492 CB THR A 100 5.933 1.444 0.837 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.686 1.017 0.278 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.408 2.703 0.127 1.00 0.00 C ATOM 0 H THR A 100 6.580 0.363 -1.343 1.00 0.00 H new ATOM 0 HA THR A 100 7.968 0.729 0.916 1.00 0.00 H new ATOM 0 HB THR A 100 5.798 1.671 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.769 0.954 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.654 3.484 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.342 3.042 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.569 2.486 -0.929 1.00 0.00 H new ATOM 1502 N PRO A 101 7.102 -0.544 2.989 1.00 0.00 N ATOM 1503 CA PRO A 101 6.877 -1.491 4.085 1.00 0.00 C ATOM 1504 C PRO A 101 5.412 -1.553 4.505 1.00 0.00 C ATOM 1505 O PRO A 101 4.778 -0.524 4.736 1.00 0.00 O ATOM 1506 CB PRO A 101 7.735 -0.928 5.221 1.00 0.00 C ATOM 1507 CG PRO A 101 7.849 0.527 4.925 1.00 0.00 C ATOM 1508 CD PRO A 101 7.850 0.647 3.426 1.00 0.00 C ATOM 0 HA PRO A 101 7.136 -2.511 3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.269 -1.099 6.191 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.715 -1.404 5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.016 1.080 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.763 0.941 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.369 1.568 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.863 0.655 3.024 1.00 0.00 H new ATOM 1516 N ASP A 102 4.881 -2.767 4.603 1.00 0.00 N ATOM 1517 CA ASP A 102 3.491 -2.964 4.998 1.00 0.00 C ATOM 1518 C ASP A 102 3.061 -1.913 6.016 1.00 0.00 C ATOM 1519 O ASP A 102 3.811 -1.580 6.934 1.00 0.00 O ATOM 1520 CB ASP A 102 3.298 -4.365 5.580 1.00 0.00 C ATOM 1521 CG ASP A 102 4.116 -5.413 4.851 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.278 -5.641 5.249 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.595 -6.005 3.884 1.00 0.00 O ATOM 0 H ASP A 102 5.392 -3.629 4.414 1.00 0.00 H new ATOM 0 HA ASP A 102 2.868 -2.859 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.577 -4.359 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.243 -4.633 5.531 1.00 0.00 H new ATOM 1528 N VAL A 103 1.850 -1.393 5.847 1.00 0.00 N ATOM 1529 CA VAL A 103 1.319 -0.380 6.751 1.00 0.00 C ATOM 1530 C VAL A 103 -0.025 -0.808 7.329 1.00 0.00 C ATOM 1531 O VAL A 103 -1.077 -0.344 6.891 1.00 0.00 O ATOM 1532 CB VAL A 103 1.151 0.976 6.038 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.518 1.995 6.973 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.491 1.474 5.520 1.00 0.00 C ATOM 0 H VAL A 103 1.217 -1.657 5.092 1.00 0.00 H new ATOM 0 HA VAL A 103 2.040 -0.270 7.561 1.00 0.00 H new ATOM 0 HB VAL A 103 0.486 0.840 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.407 2.946 6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.462 1.638 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.155 2.132 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.354 2.432 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.181 1.596 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.900 0.751 4.814 1.00 0.00 H new ATOM 1544 N ALA A 104 0.018 -1.696 8.317 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.196 -2.186 8.957 1.00 0.00 C ATOM 1546 C ALA A 104 -1.887 -1.077 9.744 1.00 0.00 C ATOM 1547 O ALA A 104 -1.239 -0.309 10.455 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.875 -3.361 9.869 1.00 0.00 C ATOM 0 H ALA A 104 0.881 -2.091 8.691 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.878 -2.522 8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.791 -3.717 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.432 -4.166 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.171 -3.043 10.638 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.207 -0.998 9.611 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.987 0.017 10.309 1.00 0.00 C ATOM 1556 C VAL A 105 -5.345 -0.529 10.735 1.00 0.00 C ATOM 1557 O VAL A 105 -6.006 -1.237 9.975 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.199 1.265 9.431 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.261 1.000 8.375 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.577 2.462 10.290 1.00 0.00 C ATOM 0 H VAL A 105 -3.759 -1.625 9.026 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.418 0.298 11.195 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.263 1.493 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.397 1.892 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.945 0.171 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.203 0.746 8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.723 3.335 9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.500 2.247 10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.779 2.663 11.005 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.756 -0.195 11.954 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.036 -0.652 12.481 1.00 0.00 C ATOM 1572 C ARG A 106 -8.136 0.365 12.195 1.00 0.00 C ATOM 1573 O ARG A 106 -7.983 1.556 12.470 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.933 -0.898 13.987 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.003 -1.833 14.526 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.043 -1.816 16.046 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.835 -2.392 16.632 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.486 -2.231 17.903 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.249 -1.515 18.718 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.372 -2.786 18.362 1.00 0.00 N ATOM 0 H ARG A 106 -5.221 0.391 12.595 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.292 -1.588 11.984 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.951 -1.315 14.212 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.001 0.057 14.508 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.976 -1.540 14.132 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.810 -2.848 14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.161 -0.790 16.394 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.914 -2.372 16.392 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.226 -2.948 16.032 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.106 -1.086 18.369 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.979 -1.393 19.694 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.782 -3.337 17.738 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.105 -2.662 19.339 1.00 0.00 H new ATOM 1594 N THR A 107 -9.247 -0.112 11.641 1.00 0.00 N ATOM 1595 CA THR A 107 -10.372 0.756 11.316 1.00 0.00 C ATOM 1596 C THR A 107 -11.126 1.173 12.574 1.00 0.00 C ATOM 1597 O THR A 107 -10.735 0.824 13.689 1.00 0.00 O ATOM 1598 CB THR A 107 -11.353 0.065 10.349 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.609 -1.274 10.785 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.794 0.046 8.935 1.00 0.00 C ATOM 0 H THR A 107 -9.391 -1.095 11.408 1.00 0.00 H new ATOM 0 HA THR A 107 -9.959 1.641 10.833 1.00 0.00 H new ATOM 0 HB THR A 107 -12.285 0.629 10.347 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.320 -1.666 10.236 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.503 -0.447 8.270 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.628 1.068 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.849 -0.498 8.925 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.208 1.921 12.389 1.00 0.00 N ATOM 1609 CA LEU A 108 -13.018 2.385 13.510 1.00 0.00 C ATOM 1610 C LEU A 108 -14.104 1.371 13.854 1.00 0.00 C ATOM 1611 O LEU A 108 -14.404 0.476 13.064 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.653 3.737 13.180 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.735 4.767 12.520 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.519 6.011 12.134 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.583 5.126 13.447 1.00 0.00 C ATOM 0 H LEU A 108 -12.545 2.219 11.474 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.365 2.498 14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.505 3.565 12.522 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.044 4.167 14.102 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.321 4.328 11.612 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.849 6.732 11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.308 5.741 11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.962 6.453 13.026 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.940 5.860 12.961 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.978 5.546 14.372 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.005 4.230 13.673 1.00 0.00 H new ATOM 1627 N SER A 109 -14.691 1.519 15.037 1.00 0.00 N ATOM 1628 CA SER A 109 -15.743 0.615 15.487 1.00 0.00 C ATOM 1629 C SER A 109 -17.096 1.320 15.500 1.00 0.00 C ATOM 1630 O SER A 109 -17.289 2.304 16.214 1.00 0.00 O ATOM 1631 CB SER A 109 -15.421 0.078 16.883 1.00 0.00 C ATOM 1632 OG SER A 109 -16.607 -0.198 17.609 1.00 0.00 O ATOM 0 H SER A 109 -14.456 2.256 15.701 1.00 0.00 H new ATOM 0 HA SER A 109 -15.794 -0.220 14.788 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.823 -0.830 16.798 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.819 0.806 17.427 1.00 0.00 H new ATOM 0 HG SER A 109 -16.375 -0.541 18.497 1.00 0.00 H new ATOM 1638 N ASP A 110 -18.030 0.808 14.706 1.00 0.00 N ATOM 1639 CA ASP A 110 -19.366 1.387 14.625 1.00 0.00 C ATOM 1640 C ASP A 110 -20.315 0.701 15.604 1.00 0.00 C ATOM 1641 O ASP A 110 -20.995 -0.263 15.253 1.00 0.00 O ATOM 1642 CB ASP A 110 -19.911 1.270 13.201 1.00 0.00 C ATOM 1643 CG ASP A 110 -21.229 1.998 13.024 1.00 0.00 C ATOM 1644 OD1 ASP A 110 -21.978 2.119 14.016 1.00 0.00 O ATOM 1645 OD2 ASP A 110 -21.513 2.445 11.893 1.00 0.00 O ATOM 0 H ASP A 110 -17.887 -0.007 14.109 1.00 0.00 H new ATOM 0 HA ASP A 110 -19.295 2.441 14.893 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -19.180 1.673 12.501 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -20.044 0.217 12.951 1.00 0.00 H new ATOM 1650 N SER A 111 -20.354 1.206 16.833 1.00 0.00 N ATOM 1651 CA SER A 111 -21.216 0.639 17.864 1.00 0.00 C ATOM 1652 C SER A 111 -22.573 1.336 17.882 1.00 0.00 C ATOM 1653 O SER A 111 -23.110 1.646 18.944 1.00 0.00 O ATOM 1654 CB SER A 111 -20.551 0.758 19.237 1.00 0.00 C ATOM 1655 OG SER A 111 -20.241 2.108 19.538 1.00 0.00 O ATOM 0 H SER A 111 -19.800 2.006 17.139 1.00 0.00 H new ATOM 0 HA SER A 111 -21.371 -0.415 17.633 1.00 0.00 H new ATOM 0 HB2 SER A 111 -21.214 0.355 20.002 1.00 0.00 H new ATOM 0 HB3 SER A 111 -19.640 0.159 19.257 1.00 0.00 H new ATOM 0 HG SER A 111 -19.819 2.158 20.421 1.00 0.00 H new ATOM 1661 N GLY A 112 -23.121 1.580 16.696 1.00 0.00 N ATOM 1662 CA GLY A 112 -24.411 2.239 16.596 1.00 0.00 C ATOM 1663 C GLY A 112 -24.316 3.602 15.938 1.00 0.00 C ATOM 1664 O GLY A 112 -23.236 4.062 15.568 1.00 0.00 O ATOM 0 H GLY A 112 -22.695 1.333 15.802 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -25.094 1.610 16.025 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -24.838 2.349 17.593 1.00 0.00 H new ATOM 1668 N PRO A 113 -25.469 4.269 15.783 1.00 0.00 N ATOM 1669 CA PRO A 113 -25.538 5.596 15.164 1.00 0.00 C ATOM 1670 C PRO A 113 -24.916 6.678 16.040 1.00 0.00 C ATOM 1671 O PRO A 113 -24.509 7.731 15.549 1.00 0.00 O ATOM 1672 CB PRO A 113 -27.041 5.836 15.005 1.00 0.00 C ATOM 1673 CG PRO A 113 -27.673 4.992 16.058 1.00 0.00 C ATOM 1674 CD PRO A 113 -26.794 3.781 16.201 1.00 0.00 C ATOM 0 HA PRO A 113 -24.984 5.637 14.226 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -27.290 6.889 15.139 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -27.384 5.551 14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -27.747 5.534 17.001 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -28.686 4.707 15.774 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -26.781 3.413 17.227 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -27.136 2.959 15.572 1.00 0.00 H new ATOM 1682 N SER A 114 -24.845 6.411 17.340 1.00 0.00 N ATOM 1683 CA SER A 114 -24.275 7.364 18.286 1.00 0.00 C ATOM 1684 C SER A 114 -23.279 6.677 19.216 1.00 0.00 C ATOM 1685 O SER A 114 -23.229 5.450 19.291 1.00 0.00 O ATOM 1686 CB SER A 114 -25.384 8.026 19.106 1.00 0.00 C ATOM 1687 OG SER A 114 -26.083 7.070 19.884 1.00 0.00 O ATOM 0 H SER A 114 -25.175 5.543 17.762 1.00 0.00 H new ATOM 0 HA SER A 114 -23.746 8.130 17.719 1.00 0.00 H new ATOM 0 HB2 SER A 114 -24.954 8.786 19.758 1.00 0.00 H new ATOM 0 HB3 SER A 114 -26.079 8.535 18.439 1.00 0.00 H new ATOM 0 HG SER A 114 -26.785 7.518 20.400 1.00 0.00 H new ATOM 1693 N SER A 115 -22.489 7.479 19.923 1.00 0.00 N ATOM 1694 CA SER A 115 -21.492 6.950 20.846 1.00 0.00 C ATOM 1695 C SER A 115 -21.145 7.977 21.919 1.00 0.00 C ATOM 1696 O SER A 115 -21.019 9.168 21.636 1.00 0.00 O ATOM 1697 CB SER A 115 -20.228 6.543 20.085 1.00 0.00 C ATOM 1698 OG SER A 115 -19.456 5.621 20.836 1.00 0.00 O ATOM 0 H SER A 115 -22.520 8.497 19.874 1.00 0.00 H new ATOM 0 HA SER A 115 -21.914 6.071 21.333 1.00 0.00 H new ATOM 0 HB2 SER A 115 -20.503 6.098 19.129 1.00 0.00 H new ATOM 0 HB3 SER A 115 -19.631 7.428 19.865 1.00 0.00 H new ATOM 0 HG SER A 115 -18.655 5.375 20.328 1.00 0.00 H new ATOM 1704 N GLY A 116 -20.992 7.507 23.153 1.00 0.00 N ATOM 1705 CA GLY A 116 -20.661 8.397 24.250 1.00 0.00 C ATOM 1706 C GLY A 116 -21.893 8.959 24.932 1.00 0.00 C ATOM 1707 O GLY A 116 -21.907 9.144 26.149 1.00 0.00 O ATOM 0 H GLY A 116 -21.091 6.526 23.413 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.058 7.859 24.981 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -20.050 9.218 23.876 1.00 0.00 H new TER 1711 GLY A 116