USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 96 LYS NZ :NH3+ 180:sc= 0.258 (180deg=-0.0352) USER MOD Set 1.2: A 100 SER OG : rot 32:sc= 0.51 USER MOD Set 2.1: A 74 THR OG1 : rot -90:sc= 0.883 USER MOD Set 2.2: A 75 THR OG1 : rot 151:sc= 0.284 USER MOD Set 3.1: A 62 THR OG1 : rot 145:sc= 0.67 USER MOD Set 3.2: A 66 GLN : amide:sc= 1 K(o=1.7,f=-0.44) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -10.1! C(o=-11!,f=-10!) USER MOD Set 4.2: A 21 MET CE :methyl -126:sc= -0.832 (180deg=-0.307) USER MOD Set 4.3: A 87 HIS : no HD1:sc= -0.389 K(o=-11,f=-10) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 23:sc= 0.359 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 160:sc= -0.939 USER MOD Single : A 24 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.44 K(o=-2.4,f=-6.8) USER MOD Single : A 35 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.64) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.64) USER MOD Single : A 46 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-3.5!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.95! C(o=-2!,f=-3.4!) USER MOD Single : A 59 MET CE :methyl -179:sc= -2.05 (180deg=-2.13) USER MOD Single : A 61 THR OG1 : rot -36:sc= 0.925 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -104:sc= -0.574 (180deg=-2.06!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.16) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.318 -8.651 12.975 1.00 0.00 N ATOM 2 CA GLY A 1 2.393 -7.547 12.798 1.00 0.00 C ATOM 3 C GLY A 1 2.129 -6.800 14.090 1.00 0.00 C ATOM 4 O GLY A 1 1.823 -7.408 15.116 1.00 0.00 O ATOM 0 H1 GLY A 1 3.466 -9.130 12.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.227 -8.289 13.327 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.925 -9.327 13.661 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.795 -6.855 12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.451 -7.926 12.402 1.00 0.00 H new ATOM 8 N SER A 2 2.247 -5.477 14.043 1.00 0.00 N ATOM 9 CA SER A 2 2.025 -4.646 15.219 1.00 0.00 C ATOM 10 C SER A 2 0.586 -4.144 15.266 1.00 0.00 C ATOM 11 O SER A 2 -0.101 -4.285 16.278 1.00 0.00 O ATOM 12 CB SER A 2 2.991 -3.460 15.223 1.00 0.00 C ATOM 13 OG SER A 2 3.340 -3.090 16.546 1.00 0.00 O ATOM 0 H SER A 2 2.496 -4.957 13.201 1.00 0.00 H new ATOM 0 HA SER A 2 2.208 -5.257 16.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.891 -3.718 14.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.533 -2.612 14.714 1.00 0.00 H new ATOM 0 HG SER A 2 3.959 -2.331 16.521 1.00 0.00 H new ATOM 19 N SER A 3 0.136 -3.555 14.162 1.00 0.00 N ATOM 20 CA SER A 3 -1.222 -3.028 14.077 1.00 0.00 C ATOM 21 C SER A 3 -1.827 -3.306 12.705 1.00 0.00 C ATOM 22 O SER A 3 -1.128 -3.704 11.774 1.00 0.00 O ATOM 23 CB SER A 3 -1.224 -1.522 14.352 1.00 0.00 C ATOM 24 OG SER A 3 -1.962 -1.219 15.523 1.00 0.00 O ATOM 0 H SER A 3 0.691 -3.431 13.315 1.00 0.00 H new ATOM 0 HA SER A 3 -1.829 -3.530 14.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.199 -1.168 14.462 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.654 -0.994 13.501 1.00 0.00 H new ATOM 0 HG SER A 3 -1.947 -0.251 15.678 1.00 0.00 H new ATOM 30 N GLY A 4 -3.134 -3.093 12.587 1.00 0.00 N ATOM 31 CA GLY A 4 -3.813 -3.327 11.326 1.00 0.00 C ATOM 32 C GLY A 4 -5.257 -3.747 11.514 1.00 0.00 C ATOM 33 O GLY A 4 -5.547 -4.928 11.716 1.00 0.00 O ATOM 0 H GLY A 4 -3.735 -2.763 13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.777 -2.419 10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.283 -4.100 10.769 1.00 0.00 H new ATOM 37 N SER A 5 -6.167 -2.780 11.451 1.00 0.00 N ATOM 38 CA SER A 5 -7.589 -3.056 11.622 1.00 0.00 C ATOM 39 C SER A 5 -8.430 -1.868 11.166 1.00 0.00 C ATOM 40 O SER A 5 -8.206 -0.734 11.590 1.00 0.00 O ATOM 41 CB SER A 5 -7.895 -3.380 13.086 1.00 0.00 C ATOM 42 OG SER A 5 -7.806 -2.220 13.895 1.00 0.00 O ATOM 0 H SER A 5 -5.945 -1.799 11.283 1.00 0.00 H new ATOM 0 HA SER A 5 -7.844 -3.918 11.006 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.895 -3.807 13.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.196 -4.134 13.448 1.00 0.00 H new ATOM 0 HG SER A 5 -7.931 -1.423 13.339 1.00 0.00 H new ATOM 48 N SER A 6 -9.402 -2.137 10.299 1.00 0.00 N ATOM 49 CA SER A 6 -10.276 -1.091 9.782 1.00 0.00 C ATOM 50 C SER A 6 -11.348 -1.679 8.870 1.00 0.00 C ATOM 51 O SER A 6 -11.097 -2.635 8.136 1.00 0.00 O ATOM 52 CB SER A 6 -9.459 -0.045 9.019 1.00 0.00 C ATOM 53 OG SER A 6 -10.009 1.251 9.185 1.00 0.00 O ATOM 0 H SER A 6 -9.603 -3.070 9.940 1.00 0.00 H new ATOM 0 HA SER A 6 -10.767 -0.612 10.629 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.428 -0.054 9.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.434 -0.300 7.960 1.00 0.00 H new ATOM 0 HG SER A 6 -9.469 1.902 8.690 1.00 0.00 H new ATOM 59 N GLY A 7 -12.544 -1.102 8.923 1.00 0.00 N ATOM 60 CA GLY A 7 -13.637 -1.584 8.098 1.00 0.00 C ATOM 61 C GLY A 7 -13.713 -0.870 6.763 1.00 0.00 C ATOM 62 O GLY A 7 -12.765 -0.197 6.357 1.00 0.00 O ATOM 0 H GLY A 7 -12.776 -0.310 9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.516 -2.654 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.578 -1.451 8.632 1.00 0.00 H new ATOM 66 N GLN A 8 -14.843 -1.016 6.078 1.00 0.00 N ATOM 67 CA GLN A 8 -15.036 -0.381 4.780 1.00 0.00 C ATOM 68 C GLN A 8 -16.475 0.097 4.617 1.00 0.00 C ATOM 69 O GLN A 8 -17.367 -0.683 4.284 1.00 0.00 O ATOM 70 CB GLN A 8 -14.680 -1.354 3.654 1.00 0.00 C ATOM 71 CG GLN A 8 -14.460 -0.677 2.311 1.00 0.00 C ATOM 72 CD GLN A 8 -14.922 -1.529 1.146 1.00 0.00 C ATOM 73 OE1 GLN A 8 -15.296 -2.689 1.319 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.899 -0.956 -0.052 1.00 0.00 N ATOM 0 H GLN A 8 -15.638 -1.568 6.400 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.376 0.484 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.777 -1.900 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.479 -2.089 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.994 0.273 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.401 -0.449 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.581 0.008 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.199 -1.480 -0.874 1.00 0.00 H new ATOM 83 N LYS A 9 -16.695 1.386 4.855 1.00 0.00 N ATOM 84 CA LYS A 9 -18.025 1.971 4.735 1.00 0.00 C ATOM 85 C LYS A 9 -18.144 2.795 3.456 1.00 0.00 C ATOM 86 O LYS A 9 -17.435 3.784 3.277 1.00 0.00 O ATOM 87 CB LYS A 9 -18.331 2.848 5.951 1.00 0.00 C ATOM 88 CG LYS A 9 -19.091 2.124 7.049 1.00 0.00 C ATOM 89 CD LYS A 9 -18.162 1.666 8.160 1.00 0.00 C ATOM 90 CE LYS A 9 -18.908 1.492 9.474 1.00 0.00 C ATOM 91 NZ LYS A 9 -18.011 1.678 10.648 1.00 0.00 N ATOM 0 H LYS A 9 -15.968 2.046 5.132 1.00 0.00 H new ATOM 0 HA LYS A 9 -18.750 1.158 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.394 3.228 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.912 3.712 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.854 2.784 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.608 1.262 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.694 0.723 7.879 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.361 2.394 8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.727 2.210 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.353 0.498 9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.556 1.552 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.244 0.977 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.606 2.636 10.627 1.00 0.00 H new ATOM 105 N GLY A 10 -19.045 2.381 2.572 1.00 0.00 N ATOM 106 CA GLY A 10 -19.241 3.093 1.323 1.00 0.00 C ATOM 107 C GLY A 10 -17.946 3.290 0.560 1.00 0.00 C ATOM 108 O GLY A 10 -17.088 2.408 0.542 1.00 0.00 O ATOM 0 H GLY A 10 -19.643 1.565 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -19.946 2.542 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.690 4.065 1.529 1.00 0.00 H new ATOM 112 N ARG A 11 -17.806 4.451 -0.074 1.00 0.00 N ATOM 113 CA ARG A 11 -16.608 4.759 -0.845 1.00 0.00 C ATOM 114 C ARG A 11 -16.170 6.202 -0.614 1.00 0.00 C ATOM 115 O ARG A 11 -16.989 7.070 -0.314 1.00 0.00 O ATOM 116 CB ARG A 11 -16.861 4.524 -2.336 1.00 0.00 C ATOM 117 CG ARG A 11 -16.641 3.085 -2.772 1.00 0.00 C ATOM 118 CD ARG A 11 -17.923 2.461 -3.301 1.00 0.00 C ATOM 119 NE ARG A 11 -17.659 1.447 -4.318 1.00 0.00 N ATOM 120 CZ ARG A 11 -18.614 0.810 -4.986 1.00 0.00 C ATOM 121 NH1 ARG A 11 -19.890 1.081 -4.747 1.00 0.00 N ATOM 122 NH2 ARG A 11 -18.294 -0.101 -5.897 1.00 0.00 N ATOM 0 H ARG A 11 -18.507 5.192 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.810 4.097 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -17.885 4.814 -2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.204 5.174 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.873 3.051 -3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -16.271 2.501 -1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -18.475 2.011 -2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.558 3.240 -3.722 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.688 1.215 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.141 1.781 -4.048 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.621 0.590 -5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.314 -0.312 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.028 -0.590 -6.409 1.00 0.00 H new ATOM 136 N VAL A 12 -14.871 6.450 -0.756 1.00 0.00 N ATOM 137 CA VAL A 12 -14.324 7.787 -0.563 1.00 0.00 C ATOM 138 C VAL A 12 -13.293 8.119 -1.636 1.00 0.00 C ATOM 139 O VAL A 12 -12.295 7.416 -1.790 1.00 0.00 O ATOM 140 CB VAL A 12 -13.668 7.931 0.825 1.00 0.00 C ATOM 141 CG1 VAL A 12 -14.626 8.598 1.800 1.00 0.00 C ATOM 142 CG2 VAL A 12 -13.222 6.574 1.346 1.00 0.00 C ATOM 0 H VAL A 12 -14.179 5.743 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.159 8.484 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.786 8.564 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.147 8.692 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.891 9.588 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.528 7.993 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.761 6.694 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.086 5.914 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.499 6.139 0.656 1.00 0.00 H new ATOM 152 N GLU A 13 -13.542 9.197 -2.374 1.00 0.00 N ATOM 153 CA GLU A 13 -12.635 9.622 -3.435 1.00 0.00 C ATOM 154 C GLU A 13 -11.752 10.775 -2.966 1.00 0.00 C ATOM 155 O GLU A 13 -12.056 11.943 -3.209 1.00 0.00 O ATOM 156 CB GLU A 13 -13.426 10.041 -4.675 1.00 0.00 C ATOM 157 CG GLU A 13 -13.467 8.978 -5.760 1.00 0.00 C ATOM 158 CD GLU A 13 -14.712 9.070 -6.619 1.00 0.00 C ATOM 159 OE1 GLU A 13 -15.047 10.189 -7.060 1.00 0.00 O ATOM 160 OE2 GLU A 13 -15.352 8.023 -6.851 1.00 0.00 O ATOM 0 H GLU A 13 -14.363 9.791 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.994 8.778 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.446 10.285 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.987 10.950 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.585 9.076 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.420 7.991 -5.299 1.00 0.00 H new ATOM 167 N THR A 14 -10.657 10.438 -2.291 1.00 0.00 N ATOM 168 CA THR A 14 -9.732 11.444 -1.786 1.00 0.00 C ATOM 169 C THR A 14 -8.291 11.093 -2.141 1.00 0.00 C ATOM 170 O THR A 14 -7.795 10.027 -1.776 1.00 0.00 O ATOM 171 CB THR A 14 -9.848 11.598 -0.258 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.047 12.698 0.187 1.00 0.00 O ATOM 173 CG2 THR A 14 -9.409 10.326 0.450 1.00 0.00 C ATOM 0 H THR A 14 -10.390 9.476 -2.082 1.00 0.00 H new ATOM 0 HA THR A 14 -10.002 12.387 -2.261 1.00 0.00 H new ATOM 0 HB THR A 14 -10.893 11.788 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.358 12.994 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.500 10.460 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.041 9.496 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.371 10.109 0.198 1.00 0.00 H new ATOM 181 N ARG A 15 -7.626 11.996 -2.854 1.00 0.00 N ATOM 182 CA ARG A 15 -6.242 11.781 -3.259 1.00 0.00 C ATOM 183 C ARG A 15 -5.973 10.300 -3.510 1.00 0.00 C ATOM 184 O ARG A 15 -6.864 9.559 -3.922 1.00 0.00 O ATOM 185 CB ARG A 15 -5.287 12.309 -2.186 1.00 0.00 C ATOM 186 CG ARG A 15 -5.178 11.405 -0.969 1.00 0.00 C ATOM 187 CD ARG A 15 -5.823 12.038 0.254 1.00 0.00 C ATOM 188 NE ARG A 15 -5.100 13.225 0.702 1.00 0.00 N ATOM 189 CZ ARG A 15 -5.624 14.145 1.504 1.00 0.00 C ATOM 190 NH1 ARG A 15 -6.867 14.015 1.945 1.00 0.00 N ATOM 191 NH2 ARG A 15 -4.902 15.198 1.868 1.00 0.00 N ATOM 0 H ARG A 15 -8.023 12.883 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.072 12.326 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.297 12.436 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.623 13.295 -1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.657 10.449 -1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.128 11.197 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.853 12.307 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.859 11.309 1.063 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.140 13.355 0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.424 13.207 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.266 14.723 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.945 15.301 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.305 15.904 2.484 1.00 0.00 H new ATOM 205 N ARG A 16 -4.738 9.878 -3.260 1.00 0.00 N ATOM 206 CA ARG A 16 -4.351 8.487 -3.461 1.00 0.00 C ATOM 207 C ARG A 16 -3.266 8.076 -2.470 1.00 0.00 C ATOM 208 O ARG A 16 -2.106 8.462 -2.608 1.00 0.00 O ATOM 209 CB ARG A 16 -3.855 8.274 -4.892 1.00 0.00 C ATOM 210 CG ARG A 16 -4.544 9.165 -5.914 1.00 0.00 C ATOM 211 CD ARG A 16 -3.964 10.571 -5.909 1.00 0.00 C ATOM 212 NE ARG A 16 -4.980 11.584 -6.180 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.755 12.890 -6.097 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.556 13.340 -5.752 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.731 13.750 -6.358 1.00 0.00 N ATOM 0 H ARG A 16 -3.988 10.479 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.230 7.864 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.781 8.458 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.008 7.231 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.438 8.730 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.611 9.210 -5.698 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.504 10.770 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.175 10.640 -6.658 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.913 11.271 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.803 12.682 -5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.387 14.344 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.655 13.408 -6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.558 14.753 -6.294 1.00 0.00 H new ATOM 229 N VAL A 17 -3.653 7.290 -1.470 1.00 0.00 N ATOM 230 CA VAL A 17 -2.713 6.825 -0.456 1.00 0.00 C ATOM 231 C VAL A 17 -2.998 5.379 -0.065 1.00 0.00 C ATOM 232 O VAL A 17 -3.940 5.099 0.675 1.00 0.00 O ATOM 233 CB VAL A 17 -2.768 7.707 0.806 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.855 7.150 1.887 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.396 9.142 0.468 1.00 0.00 C ATOM 0 H VAL A 17 -4.610 6.962 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.717 6.891 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.788 7.701 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.907 7.786 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.173 6.141 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.829 7.124 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.440 9.752 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.385 9.170 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.096 9.535 -0.270 1.00 0.00 H new ATOM 245 N VAL A 18 -2.175 4.463 -0.567 1.00 0.00 N ATOM 246 CA VAL A 18 -2.337 3.046 -0.269 1.00 0.00 C ATOM 247 C VAL A 18 -1.411 2.613 0.862 1.00 0.00 C ATOM 248 O VAL A 18 -0.211 2.427 0.661 1.00 0.00 O ATOM 249 CB VAL A 18 -2.056 2.176 -1.509 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.799 2.653 -2.221 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.932 0.712 -1.115 1.00 0.00 C ATOM 0 H VAL A 18 -1.390 4.678 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.373 2.904 0.039 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.895 2.273 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.616 2.027 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.930 3.688 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.051 2.586 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.734 0.112 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.112 0.594 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.861 0.380 -0.653 1.00 0.00 H new ATOM 261 N HIS A 19 -1.978 2.453 2.054 1.00 0.00 N ATOM 262 CA HIS A 19 -1.203 2.041 3.220 1.00 0.00 C ATOM 263 C HIS A 19 -0.975 0.532 3.214 1.00 0.00 C ATOM 264 O HIS A 19 -1.907 -0.246 3.012 1.00 0.00 O ATOM 265 CB HIS A 19 -1.918 2.455 4.506 1.00 0.00 C ATOM 266 CG HIS A 19 -1.256 1.946 5.749 1.00 0.00 C ATOM 267 ND1 HIS A 19 -1.935 1.731 6.930 1.00 0.00 N ATOM 268 CD2 HIS A 19 0.032 1.606 5.991 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.094 1.284 7.845 1.00 0.00 C ATOM 270 NE2 HIS A 19 0.106 1.199 7.301 1.00 0.00 N ATOM 0 H HIS A 19 -2.970 2.602 2.238 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.234 2.538 3.176 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.968 3.543 4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.945 2.090 4.475 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.932 1.892 7.074 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.849 1.647 5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.345 1.031 8.865 1.00 0.00 H new ATOM 278 N ILE A 20 0.271 0.126 3.434 1.00 0.00 N ATOM 279 CA ILE A 20 0.621 -1.288 3.455 1.00 0.00 C ATOM 280 C ILE A 20 1.384 -1.648 4.726 1.00 0.00 C ATOM 281 O ILE A 20 2.370 -1.000 5.074 1.00 0.00 O ATOM 282 CB ILE A 20 1.473 -1.675 2.231 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.773 -1.248 0.940 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.741 -3.173 2.224 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.641 -0.402 0.034 1.00 0.00 C ATOM 0 H ILE A 20 1.055 0.757 3.600 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.316 -1.845 3.427 1.00 0.00 H new ATOM 0 HB ILE A 20 2.429 -1.155 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.454 -2.138 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.128 -0.689 1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.344 -3.431 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.277 -3.451 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.794 -3.712 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.080 -0.136 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.939 0.506 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.530 -0.966 -0.248 1.00 0.00 H new ATOM 297 N MET A 21 0.921 -2.686 5.414 1.00 0.00 N ATOM 298 CA MET A 21 1.562 -3.135 6.644 1.00 0.00 C ATOM 299 C MET A 21 1.836 -4.634 6.600 1.00 0.00 C ATOM 300 O MET A 21 1.592 -5.290 5.586 1.00 0.00 O ATOM 301 CB MET A 21 0.685 -2.799 7.852 1.00 0.00 C ATOM 302 CG MET A 21 -0.139 -1.535 7.672 1.00 0.00 C ATOM 303 SD MET A 21 -1.910 -1.866 7.589 1.00 0.00 S ATOM 304 CE MET A 21 -2.237 -1.525 5.862 1.00 0.00 C ATOM 0 H MET A 21 0.104 -3.232 5.141 1.00 0.00 H new ATOM 0 HA MET A 21 2.515 -2.614 6.739 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.014 -3.635 8.047 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.319 -2.687 8.731 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.061 -0.855 8.500 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.175 -1.028 6.760 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.043 -0.796 5.781 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.338 -1.125 5.394 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.529 -2.446 5.358 1.00 0.00 H new ATOM 314 N ASP A 22 2.342 -5.172 7.704 1.00 0.00 N ATOM 315 CA ASP A 22 2.648 -6.595 7.792 1.00 0.00 C ATOM 316 C ASP A 22 3.711 -6.986 6.771 1.00 0.00 C ATOM 317 O ASP A 22 3.867 -8.162 6.439 1.00 0.00 O ATOM 318 CB ASP A 22 1.382 -7.425 7.571 1.00 0.00 C ATOM 319 CG ASP A 22 0.501 -7.476 8.804 1.00 0.00 C ATOM 320 OD1 ASP A 22 0.034 -6.405 9.244 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.281 -8.588 9.330 1.00 0.00 O ATOM 0 H ASP A 22 2.549 -4.643 8.551 1.00 0.00 H new ATOM 0 HA ASP A 22 3.036 -6.797 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.815 -7.004 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.661 -8.439 7.285 1.00 0.00 H new ATOM 326 N PHE A 23 4.441 -5.992 6.274 1.00 0.00 N ATOM 327 CA PHE A 23 5.489 -6.232 5.288 1.00 0.00 C ATOM 328 C PHE A 23 6.871 -6.080 5.917 1.00 0.00 C ATOM 329 O PHE A 23 7.070 -5.261 6.813 1.00 0.00 O ATOM 330 CB PHE A 23 5.342 -5.267 4.112 1.00 0.00 C ATOM 331 CG PHE A 23 5.781 -3.865 4.428 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.104 -3.487 4.270 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.869 -2.926 4.884 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.510 -2.197 4.561 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.269 -1.636 5.176 1.00 0.00 C ATOM 336 CZ PHE A 23 6.591 -1.271 5.014 1.00 0.00 C ATOM 0 H PHE A 23 4.326 -5.013 6.538 1.00 0.00 H new ATOM 0 HA PHE A 23 5.385 -7.254 4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.925 -5.641 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.299 -5.250 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.827 -4.207 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.834 -3.206 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.545 -1.914 4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.548 -0.914 5.531 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.906 -0.263 5.241 1.00 0.00 H new ATOM 346 N GLN A 24 7.822 -6.877 5.440 1.00 0.00 N ATOM 347 CA GLN A 24 9.185 -6.833 5.956 1.00 0.00 C ATOM 348 C GLN A 24 10.115 -6.124 4.976 1.00 0.00 C ATOM 349 O GLN A 24 9.668 -5.573 3.970 1.00 0.00 O ATOM 350 CB GLN A 24 9.696 -8.248 6.230 1.00 0.00 C ATOM 351 CG GLN A 24 8.976 -8.945 7.371 1.00 0.00 C ATOM 352 CD GLN A 24 9.539 -8.576 8.730 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.689 -8.150 8.842 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.731 -8.737 9.770 1.00 0.00 N ATOM 0 H GLN A 24 7.674 -7.560 4.698 1.00 0.00 H new ATOM 0 HA GLN A 24 9.175 -6.272 6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.588 -8.846 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.761 -8.203 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.917 -8.687 7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.046 -10.024 7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.785 -9.093 9.631 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.055 -8.505 10.709 1.00 0.00 H new ATOM 363 N ARG A 25 11.409 -6.143 5.277 1.00 0.00 N ATOM 364 CA ARG A 25 12.402 -5.500 4.424 1.00 0.00 C ATOM 365 C ARG A 25 13.491 -6.488 4.019 1.00 0.00 C ATOM 366 O ARG A 25 13.620 -7.561 4.607 1.00 0.00 O ATOM 367 CB ARG A 25 13.025 -4.303 5.143 1.00 0.00 C ATOM 368 CG ARG A 25 12.003 -3.380 5.786 1.00 0.00 C ATOM 369 CD ARG A 25 12.447 -1.926 5.722 1.00 0.00 C ATOM 370 NE ARG A 25 12.767 -1.392 7.043 1.00 0.00 N ATOM 371 CZ ARG A 25 13.951 -1.537 7.628 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.923 -2.196 7.010 1.00 0.00 N ATOM 373 NH2 ARG A 25 14.166 -1.022 8.831 1.00 0.00 N ATOM 0 H ARG A 25 11.795 -6.597 6.105 1.00 0.00 H new ATOM 0 HA ARG A 25 11.899 -5.151 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.708 -4.666 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.621 -3.732 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.043 -3.491 5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.852 -3.670 6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.321 -1.842 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.658 -1.326 5.270 1.00 0.00 H new ATOM 0 HE ARG A 25 12.041 -0.879 7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.762 -2.592 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.831 -2.306 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.422 -0.514 9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.076 -1.134 9.279 1.00 0.00 H new ATOM 387 N GLY A 26 14.274 -6.118 3.009 1.00 0.00 N ATOM 388 CA GLY A 26 15.342 -6.983 2.543 1.00 0.00 C ATOM 389 C GLY A 26 16.345 -6.248 1.674 1.00 0.00 C ATOM 390 O GLY A 26 17.212 -5.537 2.179 1.00 0.00 O ATOM 0 H GLY A 26 14.187 -5.235 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.857 -7.415 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.914 -7.811 1.978 1.00 0.00 H new ATOM 394 N LYS A 27 16.226 -6.422 0.362 1.00 0.00 N ATOM 395 CA LYS A 27 17.128 -5.772 -0.581 1.00 0.00 C ATOM 396 C LYS A 27 16.346 -5.049 -1.673 1.00 0.00 C ATOM 397 O LYS A 27 16.722 -3.959 -2.101 1.00 0.00 O ATOM 398 CB LYS A 27 18.071 -6.801 -1.209 1.00 0.00 C ATOM 399 CG LYS A 27 17.350 -7.974 -1.850 1.00 0.00 C ATOM 400 CD LYS A 27 18.014 -9.296 -1.501 1.00 0.00 C ATOM 401 CE LYS A 27 16.989 -10.400 -1.303 1.00 0.00 C ATOM 402 NZ LYS A 27 17.628 -11.744 -1.233 1.00 0.00 N ATOM 0 H LYS A 27 15.513 -7.008 -0.072 1.00 0.00 H new ATOM 0 HA LYS A 27 17.717 -5.036 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.685 -6.307 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.748 -7.177 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.312 -7.989 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.337 -7.847 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 27 18.705 -9.578 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.604 -9.179 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.429 -10.216 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.272 -10.381 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.896 -12.470 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.141 -11.931 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.294 -11.771 -0.434 1.00 0.00 H new ATOM 416 N ASN A 28 15.256 -5.664 -2.118 1.00 0.00 N ATOM 417 CA ASN A 28 14.419 -5.079 -3.160 1.00 0.00 C ATOM 418 C ASN A 28 13.019 -4.783 -2.633 1.00 0.00 C ATOM 419 O ASN A 28 12.040 -4.831 -3.378 1.00 0.00 O ATOM 420 CB ASN A 28 14.335 -6.020 -4.364 1.00 0.00 C ATOM 421 CG ASN A 28 15.640 -6.093 -5.134 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.188 -7.174 -5.345 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.142 -4.939 -5.556 1.00 0.00 N ATOM 0 H ASN A 28 14.931 -6.567 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 28 14.875 -4.140 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.061 -7.018 -4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.541 -5.682 -5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.018 -4.925 -6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.652 -4.067 -5.357 1.00 0.00 H new ATOM 430 N LEU A 29 12.931 -4.477 -1.342 1.00 0.00 N ATOM 431 CA LEU A 29 11.651 -4.174 -0.713 1.00 0.00 C ATOM 432 C LEU A 29 10.928 -3.059 -1.461 1.00 0.00 C ATOM 433 O LEU A 29 9.814 -3.247 -1.952 1.00 0.00 O ATOM 434 CB LEU A 29 11.861 -3.771 0.747 1.00 0.00 C ATOM 435 CG LEU A 29 10.592 -3.533 1.567 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.170 -2.074 1.487 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.470 -4.443 1.089 1.00 0.00 C ATOM 0 H LEU A 29 13.731 -4.432 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 29 11.034 -5.072 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.446 -4.549 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.460 -2.861 0.769 1.00 0.00 H new ATOM 0 HG LEU A 29 10.806 -3.770 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.265 -1.924 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.967 -1.443 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.974 -1.808 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.575 -4.260 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.257 -4.238 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.773 -5.484 1.201 1.00 0.00 H new ATOM 449 N ARG A 30 11.569 -1.897 -1.547 1.00 0.00 N ATOM 450 CA ARG A 30 10.988 -0.752 -2.236 1.00 0.00 C ATOM 451 C ARG A 30 10.248 -1.194 -3.496 1.00 0.00 C ATOM 452 O ARG A 30 9.315 -0.528 -3.945 1.00 0.00 O ATOM 453 CB ARG A 30 12.077 0.258 -2.599 1.00 0.00 C ATOM 454 CG ARG A 30 11.537 1.556 -3.176 1.00 0.00 C ATOM 455 CD ARG A 30 12.625 2.613 -3.287 1.00 0.00 C ATOM 456 NE ARG A 30 13.638 2.466 -2.246 1.00 0.00 N ATOM 457 CZ ARG A 30 14.676 1.643 -2.340 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.836 0.895 -3.424 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.555 1.565 -1.350 1.00 0.00 N ATOM 0 H ARG A 30 12.492 -1.725 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 30 10.273 -0.279 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.664 0.483 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.755 -0.196 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.110 1.367 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.730 1.928 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.099 2.544 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.176 3.604 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 30 13.543 3.027 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.161 0.952 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.634 0.263 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.434 2.138 -0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.352 0.932 -1.424 1.00 0.00 H new ATOM 473 N TYR A 31 10.672 -2.319 -4.060 1.00 0.00 N ATOM 474 CA TYR A 31 10.052 -2.849 -5.268 1.00 0.00 C ATOM 475 C TYR A 31 8.934 -3.827 -4.924 1.00 0.00 C ATOM 476 O TYR A 31 7.883 -3.836 -5.564 1.00 0.00 O ATOM 477 CB TYR A 31 11.100 -3.541 -6.143 1.00 0.00 C ATOM 478 CG TYR A 31 10.504 -4.361 -7.266 1.00 0.00 C ATOM 479 CD1 TYR A 31 9.977 -5.623 -7.025 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.471 -3.873 -8.567 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.432 -6.376 -8.048 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.928 -4.619 -9.595 1.00 0.00 C ATOM 483 CZ TYR A 31 9.411 -5.870 -9.331 1.00 0.00 C ATOM 484 OH TYR A 31 8.870 -6.616 -10.353 1.00 0.00 O ATOM 0 H TYR A 31 11.443 -2.882 -3.700 1.00 0.00 H new ATOM 0 HA TYR A 31 9.621 -2.014 -5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.763 -2.787 -6.567 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.714 -4.189 -5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.993 -6.023 -6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.877 -2.894 -8.778 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.025 -7.355 -7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.908 -4.225 -10.600 1.00 0.00 H new ATOM 0 HH TYR A 31 8.933 -6.115 -11.193 1.00 0.00 H new ATOM 494 N GLN A 32 9.169 -4.650 -3.907 1.00 0.00 N ATOM 495 CA GLN A 32 8.182 -5.633 -3.476 1.00 0.00 C ATOM 496 C GLN A 32 6.853 -4.962 -3.146 1.00 0.00 C ATOM 497 O GLN A 32 5.788 -5.563 -3.293 1.00 0.00 O ATOM 498 CB GLN A 32 8.696 -6.402 -2.258 1.00 0.00 C ATOM 499 CG GLN A 32 10.016 -7.115 -2.500 1.00 0.00 C ATOM 500 CD GLN A 32 9.890 -8.623 -2.406 1.00 0.00 C ATOM 501 OE1 GLN A 32 9.093 -9.144 -1.625 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.677 -9.334 -3.205 1.00 0.00 N ATOM 0 H GLN A 32 10.034 -4.656 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 32 8.020 -6.332 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.815 -5.709 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.947 -7.135 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.394 -6.847 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.750 -6.769 -1.772 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.323 -8.861 -3.837 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.635 -10.353 -3.187 1.00 0.00 H new ATOM 511 N LEU A 33 6.922 -3.713 -2.698 1.00 0.00 N ATOM 512 CA LEU A 33 5.724 -2.959 -2.345 1.00 0.00 C ATOM 513 C LEU A 33 5.178 -2.208 -3.556 1.00 0.00 C ATOM 514 O LEU A 33 3.973 -2.210 -3.809 1.00 0.00 O ATOM 515 CB LEU A 33 6.030 -1.974 -1.216 1.00 0.00 C ATOM 516 CG LEU A 33 6.388 -2.594 0.136 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.798 -1.514 1.125 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.217 -3.401 0.679 1.00 0.00 C ATOM 0 H LEU A 33 7.795 -3.201 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 33 4.967 -3.666 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.856 -1.336 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.163 -1.328 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 33 7.233 -3.268 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.049 -1.973 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.666 -0.979 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.973 -0.815 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.489 -3.835 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.353 -2.748 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.969 -4.198 -0.021 1.00 0.00 H new ATOM 530 N LEU A 34 6.072 -1.569 -4.302 1.00 0.00 N ATOM 531 CA LEU A 34 5.681 -0.815 -5.488 1.00 0.00 C ATOM 532 C LEU A 34 5.175 -1.749 -6.583 1.00 0.00 C ATOM 533 O LEU A 34 4.420 -1.335 -7.464 1.00 0.00 O ATOM 534 CB LEU A 34 6.862 0.006 -6.007 1.00 0.00 C ATOM 535 CG LEU A 34 7.346 1.136 -5.097 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.698 1.652 -5.561 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.325 2.264 -5.058 1.00 0.00 C ATOM 0 H LEU A 34 7.073 -1.558 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 34 4.872 -0.139 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.697 -0.671 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.585 0.435 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 34 7.459 0.741 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.027 2.456 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.426 0.841 -5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.613 2.030 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.686 3.059 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.179 2.658 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.377 1.884 -4.676 1.00 0.00 H new ATOM 549 N GLN A 35 5.594 -3.008 -6.520 1.00 0.00 N ATOM 550 CA GLN A 35 5.182 -4.000 -7.507 1.00 0.00 C ATOM 551 C GLN A 35 3.721 -4.392 -7.307 1.00 0.00 C ATOM 552 O GLN A 35 3.120 -5.043 -8.163 1.00 0.00 O ATOM 553 CB GLN A 35 6.071 -5.241 -7.416 1.00 0.00 C ATOM 554 CG GLN A 35 5.786 -6.106 -6.199 1.00 0.00 C ATOM 555 CD GLN A 35 5.989 -7.584 -6.473 1.00 0.00 C ATOM 556 OE1 GLN A 35 6.642 -8.286 -5.700 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.429 -8.064 -7.576 1.00 0.00 N ATOM 0 H GLN A 35 6.218 -3.366 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 35 5.289 -3.557 -8.497 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.937 -5.840 -8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.115 -4.929 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.436 -5.800 -5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.760 -5.939 -5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.896 -7.446 -8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.531 -9.051 -7.812 1.00 0.00 H new ATOM 566 N LEU A 36 3.155 -3.989 -6.175 1.00 0.00 N ATOM 567 CA LEU A 36 1.764 -4.298 -5.863 1.00 0.00 C ATOM 568 C LEU A 36 0.826 -3.256 -6.465 1.00 0.00 C ATOM 569 O LEU A 36 -0.378 -3.483 -6.581 1.00 0.00 O ATOM 570 CB LEU A 36 1.563 -4.365 -4.347 1.00 0.00 C ATOM 571 CG LEU A 36 2.537 -5.261 -3.580 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.454 -4.984 -2.087 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.253 -6.728 -3.870 1.00 0.00 C ATOM 0 H LEU A 36 3.638 -3.448 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 36 1.527 -5.269 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.637 -3.354 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.549 -4.712 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 36 3.550 -5.035 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.154 -5.631 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.707 -3.941 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.441 -5.181 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.955 -7.351 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.235 -6.969 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.365 -6.916 -4.938 1.00 0.00 H new ATOM 585 N VAL A 37 1.388 -2.115 -6.851 1.00 0.00 N ATOM 586 CA VAL A 37 0.603 -1.040 -7.445 1.00 0.00 C ATOM 587 C VAL A 37 1.151 -0.652 -8.814 1.00 0.00 C ATOM 588 O VAL A 37 0.461 -0.020 -9.614 1.00 0.00 O ATOM 589 CB VAL A 37 0.583 0.207 -6.541 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.126 -0.159 -5.136 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.955 0.863 -6.509 1.00 0.00 C ATOM 0 H VAL A 37 2.384 -1.912 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.414 -1.415 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.128 0.923 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.118 0.734 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.878 -0.581 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.810 -0.893 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.923 1.742 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.688 0.156 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.239 1.162 -7.518 1.00 0.00 H new ATOM 601 N GLU A 38 2.396 -1.035 -9.078 1.00 0.00 N ATOM 602 CA GLU A 38 3.037 -0.726 -10.351 1.00 0.00 C ATOM 603 C GLU A 38 2.119 -1.075 -11.520 1.00 0.00 C ATOM 604 O GLU A 38 1.732 -0.217 -12.314 1.00 0.00 O ATOM 605 CB GLU A 38 4.357 -1.488 -10.481 1.00 0.00 C ATOM 606 CG GLU A 38 5.576 -0.584 -10.559 1.00 0.00 C ATOM 607 CD GLU A 38 6.293 -0.685 -11.892 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.606 -0.820 -12.927 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.540 -0.629 -11.899 1.00 0.00 O ATOM 0 H GLU A 38 2.981 -1.560 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 38 3.240 0.345 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.466 -2.158 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.320 -2.112 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.269 0.449 -10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.268 -0.844 -9.758 1.00 0.00 H new ATOM 616 N PRO A 39 1.763 -2.363 -11.628 1.00 0.00 N ATOM 617 CA PRO A 39 0.887 -2.855 -12.697 1.00 0.00 C ATOM 618 C PRO A 39 -0.549 -2.369 -12.537 1.00 0.00 C ATOM 619 O PRO A 39 -1.413 -2.675 -13.360 1.00 0.00 O ATOM 620 CB PRO A 39 0.958 -4.376 -12.541 1.00 0.00 C ATOM 621 CG PRO A 39 1.309 -4.594 -11.110 1.00 0.00 C ATOM 622 CD PRO A 39 2.188 -3.438 -10.717 1.00 0.00 C ATOM 0 HA PRO A 39 1.200 -2.499 -13.678 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.006 -4.844 -12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.709 -4.807 -13.203 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.413 -4.631 -10.490 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.829 -5.543 -10.976 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.044 -3.160 -9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.244 -3.676 -10.841 1.00 0.00 H new ATOM 630 N PHE A 40 -0.800 -1.613 -11.474 1.00 0.00 N ATOM 631 CA PHE A 40 -2.132 -1.085 -11.207 1.00 0.00 C ATOM 632 C PHE A 40 -2.239 0.372 -11.646 1.00 0.00 C ATOM 633 O PHE A 40 -3.332 0.931 -11.721 1.00 0.00 O ATOM 634 CB PHE A 40 -2.462 -1.206 -9.718 1.00 0.00 C ATOM 635 CG PHE A 40 -2.779 -2.609 -9.285 1.00 0.00 C ATOM 636 CD1 PHE A 40 -4.078 -3.089 -9.343 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.778 -3.448 -8.823 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.372 -4.379 -8.945 1.00 0.00 C ATOM 639 CE2 PHE A 40 -2.067 -4.740 -8.425 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.365 -5.206 -8.487 1.00 0.00 C ATOM 0 H PHE A 40 -0.097 -1.352 -10.782 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.849 -1.672 -11.781 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.617 -0.837 -9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.312 -0.563 -9.489 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.869 -2.448 -9.703 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.761 -3.089 -8.773 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.389 -4.741 -8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.278 -5.384 -8.066 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.593 -6.215 -8.178 1.00 0.00 H new ATOM 650 N GLY A 41 -1.094 0.982 -11.938 1.00 0.00 N ATOM 651 CA GLY A 41 -1.080 2.368 -12.366 1.00 0.00 C ATOM 652 C GLY A 41 0.318 2.955 -12.386 1.00 0.00 C ATOM 653 O GLY A 41 1.287 2.258 -12.690 1.00 0.00 O ATOM 0 H GLY A 41 -0.176 0.541 -11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.516 2.442 -13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.709 2.957 -11.699 1.00 0.00 H new ATOM 657 N VAL A 42 0.424 4.240 -12.064 1.00 0.00 N ATOM 658 CA VAL A 42 1.713 4.920 -12.048 1.00 0.00 C ATOM 659 C VAL A 42 2.127 5.277 -10.624 1.00 0.00 C ATOM 660 O VAL A 42 1.281 5.487 -9.756 1.00 0.00 O ATOM 661 CB VAL A 42 1.682 6.204 -12.898 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.358 6.932 -12.718 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.850 7.109 -12.539 1.00 0.00 C ATOM 0 H VAL A 42 -0.368 4.831 -11.811 1.00 0.00 H new ATOM 0 HA VAL A 42 2.441 4.229 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 42 1.777 5.926 -13.948 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.355 7.837 -13.326 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.460 6.282 -13.030 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.229 7.199 -11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.812 8.011 -13.149 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.789 7.381 -11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.787 6.584 -12.725 1.00 0.00 H new ATOM 673 N ILE A 43 3.435 5.343 -10.394 1.00 0.00 N ATOM 674 CA ILE A 43 3.961 5.676 -9.076 1.00 0.00 C ATOM 675 C ILE A 43 4.264 7.166 -8.965 1.00 0.00 C ATOM 676 O ILE A 43 5.192 7.671 -9.597 1.00 0.00 O ATOM 677 CB ILE A 43 5.241 4.879 -8.764 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.045 3.401 -9.106 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.623 5.042 -7.300 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.122 2.677 -8.153 1.00 0.00 C ATOM 0 H ILE A 43 4.148 5.170 -11.102 1.00 0.00 H new ATOM 0 HA ILE A 43 3.191 5.410 -8.352 1.00 0.00 H new ATOM 0 HB ILE A 43 6.052 5.270 -9.378 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.646 3.320 -10.117 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.016 2.905 -9.106 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.530 4.473 -7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.800 6.096 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.813 4.674 -6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.030 1.634 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.530 2.726 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.139 3.148 -8.170 1.00 0.00 H new ATOM 692 N SER A 44 3.476 7.866 -8.156 1.00 0.00 N ATOM 693 CA SER A 44 3.657 9.300 -7.963 1.00 0.00 C ATOM 694 C SER A 44 4.697 9.575 -6.881 1.00 0.00 C ATOM 695 O SER A 44 5.653 10.320 -7.098 1.00 0.00 O ATOM 696 CB SER A 44 2.329 9.959 -7.589 1.00 0.00 C ATOM 697 OG SER A 44 1.818 10.726 -8.666 1.00 0.00 O ATOM 0 H SER A 44 2.705 7.463 -7.623 1.00 0.00 H new ATOM 0 HA SER A 44 4.012 9.725 -8.902 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.606 9.193 -7.309 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.470 10.599 -6.718 1.00 0.00 H new ATOM 0 HG SER A 44 1.058 11.260 -8.355 1.00 0.00 H new ATOM 703 N ASN A 45 4.502 8.969 -5.715 1.00 0.00 N ATOM 704 CA ASN A 45 5.423 9.148 -4.597 1.00 0.00 C ATOM 705 C ASN A 45 5.103 8.173 -3.468 1.00 0.00 C ATOM 706 O ASN A 45 3.962 8.087 -3.012 1.00 0.00 O ATOM 707 CB ASN A 45 5.355 10.586 -4.080 1.00 0.00 C ATOM 708 CG ASN A 45 6.506 11.436 -4.580 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.671 11.055 -4.461 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.185 12.594 -5.143 1.00 0.00 N ATOM 0 H ASN A 45 3.715 8.350 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 45 6.433 8.944 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.413 11.037 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.360 10.578 -2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.917 13.209 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.206 12.869 -5.220 1.00 0.00 H new ATOM 717 N HIS A 46 6.118 7.442 -3.020 1.00 0.00 N ATOM 718 CA HIS A 46 5.946 6.474 -1.943 1.00 0.00 C ATOM 719 C HIS A 46 6.747 6.883 -0.711 1.00 0.00 C ATOM 720 O HIS A 46 7.654 7.713 -0.794 1.00 0.00 O ATOM 721 CB HIS A 46 6.377 5.081 -2.406 1.00 0.00 C ATOM 722 CG HIS A 46 7.851 4.841 -2.289 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.797 5.700 -2.807 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.539 3.832 -1.707 1.00 0.00 C ATOM 725 CE1 HIS A 46 10.004 5.228 -2.550 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.876 4.095 -1.884 1.00 0.00 N ATOM 0 H HIS A 46 7.068 7.501 -3.386 1.00 0.00 H new ATOM 0 HA HIS A 46 4.889 6.450 -1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.847 4.332 -1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.076 4.943 -3.444 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.596 6.564 -3.310 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.116 2.979 -1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.937 5.690 -2.836 1.00 0.00 H new ATOM 734 N LEU A 47 6.405 6.298 0.432 1.00 0.00 N ATOM 735 CA LEU A 47 7.092 6.603 1.682 1.00 0.00 C ATOM 736 C LEU A 47 7.219 5.356 2.552 1.00 0.00 C ATOM 737 O LEU A 47 6.219 4.733 2.909 1.00 0.00 O ATOM 738 CB LEU A 47 6.342 7.697 2.445 1.00 0.00 C ATOM 739 CG LEU A 47 6.882 8.036 3.834 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.255 9.322 4.352 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.626 6.889 4.801 1.00 0.00 C ATOM 0 H LEU A 47 5.657 5.610 0.519 1.00 0.00 H new ATOM 0 HA LEU A 47 8.094 6.958 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.352 8.605 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.300 7.393 2.546 1.00 0.00 H new ATOM 0 HG LEU A 47 7.959 8.186 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.652 9.547 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.490 10.141 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.174 9.200 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.017 7.148 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.554 6.707 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.123 5.989 4.438 1.00 0.00 H new ATOM 753 N ILE A 48 8.454 5.001 2.892 1.00 0.00 N ATOM 754 CA ILE A 48 8.709 3.832 3.723 1.00 0.00 C ATOM 755 C ILE A 48 9.463 4.213 4.993 1.00 0.00 C ATOM 756 O ILE A 48 10.619 4.636 4.939 1.00 0.00 O ATOM 757 CB ILE A 48 9.519 2.765 2.961 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.157 2.787 1.474 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.268 1.386 3.553 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.933 1.783 0.649 1.00 0.00 C ATOM 0 H ILE A 48 9.292 5.506 2.605 1.00 0.00 H new ATOM 0 HA ILE A 48 7.737 3.418 3.990 1.00 0.00 H new ATOM 0 HB ILE A 48 10.580 2.993 3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.091 2.589 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.337 3.787 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.847 0.643 3.004 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.569 1.379 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.207 1.146 3.479 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.625 1.854 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.999 1.994 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.734 0.777 1.018 1.00 0.00 H new ATOM 772 N LEU A 49 8.802 4.060 6.135 1.00 0.00 N ATOM 773 CA LEU A 49 9.409 4.387 7.420 1.00 0.00 C ATOM 774 C LEU A 49 10.324 3.261 7.893 1.00 0.00 C ATOM 775 O LEU A 49 10.098 2.093 7.581 1.00 0.00 O ATOM 776 CB LEU A 49 8.325 4.652 8.466 1.00 0.00 C ATOM 777 CG LEU A 49 7.189 5.580 8.035 1.00 0.00 C ATOM 778 CD1 LEU A 49 5.953 5.342 8.888 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.627 7.035 8.122 1.00 0.00 C ATOM 0 H LEU A 49 7.845 3.711 6.197 1.00 0.00 H new ATOM 0 HA LEU A 49 10.009 5.288 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.894 3.696 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.798 5.077 9.351 1.00 0.00 H new ATOM 0 HG LEU A 49 6.938 5.358 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.155 6.011 8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.627 4.308 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.190 5.536 9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.806 7.681 7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.906 7.270 9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.484 7.197 7.468 1.00 0.00 H new ATOM 791 N ASN A 50 11.356 3.622 8.647 1.00 0.00 N ATOM 792 CA ASN A 50 12.304 2.642 9.165 1.00 0.00 C ATOM 793 C ASN A 50 11.965 2.264 10.604 1.00 0.00 C ATOM 794 O ASN A 50 12.487 1.286 11.140 1.00 0.00 O ATOM 795 CB ASN A 50 13.730 3.193 9.093 1.00 0.00 C ATOM 796 CG ASN A 50 14.084 3.703 7.709 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.601 3.184 6.702 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.931 4.725 7.654 1.00 0.00 N ATOM 0 H ASN A 50 11.558 4.586 8.913 1.00 0.00 H new ATOM 0 HA ASN A 50 12.236 1.746 8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.841 4.002 9.815 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.433 2.411 9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.206 5.111 6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.306 5.123 8.515 1.00 0.00 H new ATOM 805 N LYS A 51 11.086 3.044 11.223 1.00 0.00 N ATOM 806 CA LYS A 51 10.674 2.791 12.599 1.00 0.00 C ATOM 807 C LYS A 51 9.826 1.527 12.689 1.00 0.00 C ATOM 808 O LYS A 51 9.997 0.718 13.602 1.00 0.00 O ATOM 809 CB LYS A 51 9.889 3.986 13.145 1.00 0.00 C ATOM 810 CG LYS A 51 10.716 5.254 13.267 1.00 0.00 C ATOM 811 CD LYS A 51 10.523 6.162 12.064 1.00 0.00 C ATOM 812 CE LYS A 51 11.857 6.614 11.489 1.00 0.00 C ATOM 813 NZ LYS A 51 11.679 7.514 10.316 1.00 0.00 N ATOM 0 H LYS A 51 10.645 3.857 10.794 1.00 0.00 H new ATOM 0 HA LYS A 51 11.571 2.648 13.201 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.038 4.179 12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.487 3.729 14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.435 5.787 14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.770 4.994 13.363 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.954 5.636 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.936 7.034 12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.428 7.131 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.439 5.741 11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.611 7.800 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.156 7.013 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.146 8.359 10.605 1.00 0.00 H new ATOM 827 N ILE A 52 8.913 1.363 11.737 1.00 0.00 N ATOM 828 CA ILE A 52 8.041 0.195 11.710 1.00 0.00 C ATOM 829 C ILE A 52 7.810 -0.284 10.281 1.00 0.00 C ATOM 830 O ILE A 52 8.374 0.261 9.333 1.00 0.00 O ATOM 831 CB ILE A 52 6.680 0.494 12.366 1.00 0.00 C ATOM 832 CG1 ILE A 52 5.787 1.278 11.403 1.00 0.00 C ATOM 833 CG2 ILE A 52 6.876 1.264 13.663 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.361 2.618 11.000 1.00 0.00 C ATOM 0 H ILE A 52 8.758 2.023 10.975 1.00 0.00 H new ATOM 0 HA ILE A 52 8.544 -0.589 12.277 1.00 0.00 H new ATOM 0 HB ILE A 52 6.189 -0.451 12.598 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.620 0.680 10.507 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.814 1.434 11.869 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.905 1.468 14.115 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.479 0.671 14.351 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.384 2.205 13.454 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.674 3.117 10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.503 3.235 11.887 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.321 2.469 10.505 1.00 0.00 H new ATOM 846 N ASN A 53 6.972 -1.305 10.133 1.00 0.00 N ATOM 847 CA ASN A 53 6.664 -1.857 8.819 1.00 0.00 C ATOM 848 C ASN A 53 5.431 -1.185 8.222 1.00 0.00 C ATOM 849 O ASN A 53 4.505 -1.857 7.771 1.00 0.00 O ATOM 850 CB ASN A 53 6.438 -3.367 8.916 1.00 0.00 C ATOM 851 CG ASN A 53 7.730 -4.132 9.136 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.821 -3.605 8.918 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.611 -5.382 9.569 1.00 0.00 N ATOM 0 H ASN A 53 6.494 -1.767 10.907 1.00 0.00 H new ATOM 0 HA ASN A 53 7.514 -1.665 8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.751 -3.577 9.735 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.961 -3.720 8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.445 -5.946 9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.686 -5.778 9.736 1.00 0.00 H new ATOM 860 N GLU A 54 5.430 0.144 8.223 1.00 0.00 N ATOM 861 CA GLU A 54 4.311 0.907 7.681 1.00 0.00 C ATOM 862 C GLU A 54 4.762 1.784 6.518 1.00 0.00 C ATOM 863 O GLU A 54 5.581 2.687 6.689 1.00 0.00 O ATOM 864 CB GLU A 54 3.679 1.773 8.773 1.00 0.00 C ATOM 865 CG GLU A 54 2.786 0.996 9.726 1.00 0.00 C ATOM 866 CD GLU A 54 1.661 1.842 10.292 1.00 0.00 C ATOM 867 OE1 GLU A 54 1.371 2.908 9.709 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.073 1.439 11.316 1.00 0.00 O ATOM 0 H GLU A 54 6.190 0.715 8.593 1.00 0.00 H new ATOM 0 HA GLU A 54 3.568 0.200 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.471 2.258 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.094 2.564 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.363 0.138 9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.389 0.605 10.545 1.00 0.00 H new ATOM 875 N ALA A 55 4.223 1.511 5.334 1.00 0.00 N ATOM 876 CA ALA A 55 4.568 2.276 4.143 1.00 0.00 C ATOM 877 C ALA A 55 3.322 2.851 3.479 1.00 0.00 C ATOM 878 O ALA A 55 2.208 2.381 3.714 1.00 0.00 O ATOM 879 CB ALA A 55 5.338 1.405 3.161 1.00 0.00 C ATOM 0 H ALA A 55 3.545 0.765 5.175 1.00 0.00 H new ATOM 0 HA ALA A 55 5.202 3.109 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.589 1.989 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.254 1.048 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.723 0.553 2.871 1.00 0.00 H new ATOM 885 N PHE A 56 3.516 3.870 2.649 1.00 0.00 N ATOM 886 CA PHE A 56 2.407 4.510 1.951 1.00 0.00 C ATOM 887 C PHE A 56 2.802 4.881 0.525 1.00 0.00 C ATOM 888 O PHE A 56 3.728 5.664 0.310 1.00 0.00 O ATOM 889 CB PHE A 56 1.954 5.761 2.709 1.00 0.00 C ATOM 890 CG PHE A 56 1.783 5.539 4.184 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.696 4.831 4.670 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.709 6.039 5.085 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.535 4.625 6.028 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.555 5.836 6.443 1.00 0.00 C ATOM 895 CZ PHE A 56 1.466 5.129 6.915 1.00 0.00 C ATOM 0 H PHE A 56 4.431 4.271 2.443 1.00 0.00 H new ATOM 0 HA PHE A 56 1.581 3.800 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.683 6.556 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.009 6.108 2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.035 4.435 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.561 6.594 4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.317 4.071 6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.285 6.230 7.135 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.343 4.971 7.976 1.00 0.00 H new ATOM 905 N ILE A 57 2.093 4.313 -0.446 1.00 0.00 N ATOM 906 CA ILE A 57 2.370 4.584 -1.851 1.00 0.00 C ATOM 907 C ILE A 57 1.287 5.465 -2.464 1.00 0.00 C ATOM 908 O ILE A 57 0.114 5.098 -2.487 1.00 0.00 O ATOM 909 CB ILE A 57 2.477 3.280 -2.664 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.701 2.476 -2.222 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.550 3.590 -4.153 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.589 0.996 -2.513 1.00 0.00 C ATOM 0 H ILE A 57 1.323 3.663 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 57 3.326 5.107 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 57 1.586 2.680 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.585 2.871 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.851 2.617 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.625 2.659 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.651 4.126 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.426 4.207 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.492 0.489 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.724 0.587 -1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.470 0.844 -3.586 1.00 0.00 H new ATOM 924 N GLU A 58 1.691 6.631 -2.960 1.00 0.00 N ATOM 925 CA GLU A 58 0.755 7.565 -3.574 1.00 0.00 C ATOM 926 C GLU A 58 0.721 7.383 -5.089 1.00 0.00 C ATOM 927 O GLU A 58 1.756 7.424 -5.753 1.00 0.00 O ATOM 928 CB GLU A 58 1.138 9.006 -3.231 1.00 0.00 C ATOM 929 CG GLU A 58 0.152 10.038 -3.751 1.00 0.00 C ATOM 930 CD GLU A 58 0.782 11.405 -3.937 1.00 0.00 C ATOM 931 OE1 GLU A 58 2.016 11.469 -4.119 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.042 12.410 -3.900 1.00 0.00 O ATOM 0 H GLU A 58 2.660 6.951 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.239 7.357 -3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.217 9.104 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.125 9.219 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.256 9.698 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.684 10.119 -3.056 1.00 0.00 H new ATOM 939 N MET A 59 -0.477 7.183 -5.628 1.00 0.00 N ATOM 940 CA MET A 59 -0.648 6.996 -7.064 1.00 0.00 C ATOM 941 C MET A 59 -1.059 8.301 -7.738 1.00 0.00 C ATOM 942 O MET A 59 -1.568 9.212 -7.086 1.00 0.00 O ATOM 943 CB MET A 59 -1.694 5.914 -7.339 1.00 0.00 C ATOM 944 CG MET A 59 -1.466 4.633 -6.554 1.00 0.00 C ATOM 945 SD MET A 59 -0.029 3.710 -7.136 1.00 0.00 S ATOM 946 CE MET A 59 -0.699 2.932 -8.604 1.00 0.00 C ATOM 0 H MET A 59 -1.344 7.146 -5.092 1.00 0.00 H new ATOM 0 HA MET A 59 0.309 6.679 -7.480 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.682 6.306 -7.099 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.693 5.682 -8.404 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.335 4.876 -5.500 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.352 4.003 -6.628 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.067 2.310 -9.068 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.553 2.312 -8.330 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.019 3.700 -9.309 1.00 0.00 H new ATOM 956 N ALA A 60 -0.834 8.384 -9.045 1.00 0.00 N ATOM 957 CA ALA A 60 -1.184 9.577 -9.806 1.00 0.00 C ATOM 958 C ALA A 60 -2.694 9.791 -9.829 1.00 0.00 C ATOM 959 O ALA A 60 -3.170 10.925 -9.885 1.00 0.00 O ATOM 960 CB ALA A 60 -0.641 9.475 -11.224 1.00 0.00 C ATOM 0 H ALA A 60 -0.411 7.639 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.730 10.438 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.909 10.372 -11.782 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.444 9.379 -11.192 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.069 8.601 -11.715 1.00 0.00 H new ATOM 966 N THR A 61 -3.443 8.694 -9.787 1.00 0.00 N ATOM 967 CA THR A 61 -4.898 8.761 -9.804 1.00 0.00 C ATOM 968 C THR A 61 -5.508 7.767 -8.822 1.00 0.00 C ATOM 969 O THR A 61 -5.154 6.588 -8.817 1.00 0.00 O ATOM 970 CB THR A 61 -5.457 8.481 -11.213 1.00 0.00 C ATOM 971 OG1 THR A 61 -5.190 7.124 -11.585 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.841 9.423 -12.237 1.00 0.00 C ATOM 0 H THR A 61 -3.065 7.748 -9.741 1.00 0.00 H new ATOM 0 HA THR A 61 -5.170 9.774 -9.507 1.00 0.00 H new ATOM 0 HB THR A 61 -6.534 8.647 -11.192 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.318 6.853 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.251 9.206 -13.224 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.070 10.454 -11.967 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.760 9.285 -12.255 1.00 0.00 H new ATOM 980 N THR A 62 -6.426 8.251 -7.991 1.00 0.00 N ATOM 981 CA THR A 62 -7.084 7.406 -7.003 1.00 0.00 C ATOM 982 C THR A 62 -7.583 6.109 -7.634 1.00 0.00 C ATOM 983 O THR A 62 -7.734 5.096 -6.953 1.00 0.00 O ATOM 984 CB THR A 62 -8.271 8.132 -6.343 1.00 0.00 C ATOM 985 OG1 THR A 62 -8.944 7.249 -5.438 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.250 8.634 -7.393 1.00 0.00 C ATOM 0 H THR A 62 -6.730 9.224 -7.983 1.00 0.00 H new ATOM 0 HA THR A 62 -6.341 7.174 -6.240 1.00 0.00 H new ATOM 0 HB THR A 62 -7.883 8.989 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.271 7.758 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.080 9.143 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.742 9.329 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.631 7.790 -7.968 1.00 0.00 H new ATOM 994 N GLU A 63 -7.837 6.152 -8.938 1.00 0.00 N ATOM 995 CA GLU A 63 -8.320 4.979 -9.659 1.00 0.00 C ATOM 996 C GLU A 63 -7.364 3.802 -9.486 1.00 0.00 C ATOM 997 O GLU A 63 -7.790 2.651 -9.404 1.00 0.00 O ATOM 998 CB GLU A 63 -8.486 5.301 -11.146 1.00 0.00 C ATOM 999 CG GLU A 63 -9.694 6.173 -11.449 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.375 7.294 -12.417 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -8.853 8.336 -11.967 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -9.647 7.131 -13.626 1.00 0.00 O ATOM 0 H GLU A 63 -7.717 6.984 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.289 4.702 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.587 5.804 -11.503 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.573 4.368 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.489 5.554 -11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.073 6.597 -10.520 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.071 4.101 -9.432 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.053 3.069 -9.269 1.00 0.00 C ATOM 1011 C ASP A 64 -5.007 2.577 -7.825 1.00 0.00 C ATOM 1012 O ASP A 64 -5.332 1.424 -7.542 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.682 3.604 -9.682 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.727 4.355 -10.998 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.383 3.864 -11.940 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -3.107 5.436 -11.085 1.00 0.00 O ATOM 0 H ASP A 64 -5.703 5.050 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.315 2.230 -9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.303 4.265 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.981 2.774 -9.765 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.601 3.458 -6.917 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.512 3.113 -5.504 1.00 0.00 C ATOM 1023 C ALA A 65 -5.706 2.271 -5.069 1.00 0.00 C ATOM 1024 O ALA A 65 -5.545 1.242 -4.413 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.417 4.374 -4.658 1.00 0.00 C ATOM 0 H ALA A 65 -4.328 4.416 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.609 2.520 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.351 4.101 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.529 4.937 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.303 4.988 -4.819 1.00 0.00 H new ATOM 1031 N GLN A 66 -6.903 2.714 -5.437 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.124 2.000 -5.083 1.00 0.00 C ATOM 1033 C GLN A 66 -8.134 0.602 -5.691 1.00 0.00 C ATOM 1034 O GLN A 66 -8.575 -0.357 -5.060 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.352 2.782 -5.554 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.607 4.052 -4.758 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.063 4.473 -4.781 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -11.964 3.642 -4.666 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.301 5.770 -4.930 1.00 0.00 N ATOM 0 H GLN A 66 -7.054 3.564 -5.980 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.156 1.904 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.226 3.041 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.230 2.139 -5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.294 3.898 -3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.993 4.858 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.524 6.424 -5.022 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.261 6.113 -4.953 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.645 0.494 -6.922 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.594 -0.787 -7.615 1.00 0.00 C ATOM 1050 C ALA A 67 -6.635 -1.749 -6.923 1.00 0.00 C ATOM 1051 O ALA A 67 -6.945 -2.926 -6.741 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.186 -0.587 -9.068 1.00 0.00 C ATOM 0 H ALA A 67 -7.278 1.279 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.591 -1.226 -7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.152 -1.553 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.912 0.057 -9.564 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.201 -0.122 -9.109 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.470 -1.240 -6.537 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.466 -2.055 -5.863 1.00 0.00 C ATOM 1060 C ALA A 68 -5.051 -2.739 -4.632 1.00 0.00 C ATOM 1061 O ALA A 68 -4.685 -3.869 -4.304 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.268 -1.201 -5.475 1.00 0.00 C ATOM 0 H ALA A 68 -5.198 -0.267 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.137 -2.830 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.526 -1.822 -4.973 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.828 -0.763 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.590 -0.406 -4.803 1.00 0.00 H new ATOM 1068 N VAL A 69 -5.962 -2.049 -3.953 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.598 -2.591 -2.759 1.00 0.00 C ATOM 1070 C VAL A 69 -7.609 -3.674 -3.118 1.00 0.00 C ATOM 1071 O VAL A 69 -7.771 -4.653 -2.387 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.310 -1.488 -1.952 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.180 -2.100 -0.865 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.294 -0.526 -1.355 1.00 0.00 C ATOM 0 H VAL A 69 -6.276 -1.113 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.806 -3.025 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.955 -0.926 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.675 -1.306 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.931 -2.746 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.558 -2.687 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.814 0.247 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.622 -1.072 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.717 -0.063 -2.156 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.285 -3.495 -4.246 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.279 -4.458 -4.705 1.00 0.00 C ATOM 1086 C ASP A 70 -8.632 -5.809 -4.996 1.00 0.00 C ATOM 1087 O ASP A 70 -9.316 -6.829 -5.087 1.00 0.00 O ATOM 1088 CB ASP A 70 -9.987 -3.937 -5.957 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.497 -3.964 -5.821 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.043 -3.098 -5.107 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.131 -4.851 -6.428 1.00 0.00 O ATOM 0 H ASP A 70 -8.163 -2.690 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.014 -4.590 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.661 -2.916 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.691 -4.540 -6.816 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.313 -5.808 -5.142 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.574 -7.032 -5.428 1.00 0.00 C ATOM 1098 C TYR A 71 -6.238 -7.778 -4.140 1.00 0.00 C ATOM 1099 O TYR A 71 -6.098 -9.002 -4.135 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.289 -6.712 -6.193 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.654 -7.921 -6.842 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.385 -8.747 -7.687 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.321 -8.239 -6.609 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.809 -9.852 -8.281 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.735 -9.342 -7.200 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.484 -10.145 -8.035 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.904 -11.245 -8.624 1.00 0.00 O ATOM 0 H TYR A 71 -6.732 -4.973 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.206 -7.671 -6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.509 -5.971 -6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.572 -6.259 -5.509 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.423 -8.520 -7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.733 -7.613 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.393 -10.483 -8.935 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.698 -9.574 -7.009 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.966 -11.308 -8.347 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.112 -7.033 -3.048 1.00 0.00 N ATOM 1118 CA TYR A 72 -5.791 -7.621 -1.752 1.00 0.00 C ATOM 1119 C TYR A 72 -7.013 -8.304 -1.148 1.00 0.00 C ATOM 1120 O TYR A 72 -6.889 -9.249 -0.368 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.268 -6.548 -0.797 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.603 -6.813 0.654 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.785 -7.613 1.441 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.739 -6.264 1.236 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.087 -7.859 2.766 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.049 -6.504 2.561 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.220 -7.302 3.322 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.526 -7.543 4.642 1.00 0.00 O ATOM 0 H TYR A 72 -6.227 -6.020 -3.034 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.015 -8.371 -1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.186 -6.475 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.683 -5.582 -1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.897 -8.051 1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.390 -5.639 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.440 -8.484 3.364 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -7.936 -6.069 2.999 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.355 -7.076 4.876 1.00 0.00 H new ATOM 1138 N THR A 73 -8.196 -7.821 -1.514 1.00 0.00 N ATOM 1139 CA THR A 73 -9.442 -8.384 -1.009 1.00 0.00 C ATOM 1140 C THR A 73 -9.875 -9.590 -1.834 1.00 0.00 C ATOM 1141 O THR A 73 -10.587 -10.466 -1.344 1.00 0.00 O ATOM 1142 CB THR A 73 -10.573 -7.338 -1.015 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.835 -7.981 -0.802 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.602 -6.579 -2.333 1.00 0.00 C ATOM 0 H THR A 73 -8.317 -7.040 -2.159 1.00 0.00 H new ATOM 0 HA THR A 73 -9.254 -8.699 0.017 1.00 0.00 H new ATOM 0 HB THR A 73 -10.386 -6.628 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.549 -7.310 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.409 -5.846 -2.313 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.651 -6.067 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.767 -7.279 -3.152 1.00 0.00 H new ATOM 1152 N THR A 74 -9.441 -9.629 -3.089 1.00 0.00 N ATOM 1153 CA THR A 74 -9.785 -10.727 -3.983 1.00 0.00 C ATOM 1154 C THR A 74 -8.615 -11.694 -4.141 1.00 0.00 C ATOM 1155 O THR A 74 -8.802 -12.859 -4.494 1.00 0.00 O ATOM 1156 CB THR A 74 -10.201 -10.212 -5.374 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.103 -9.531 -5.992 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.393 -9.273 -5.268 1.00 0.00 C ATOM 0 H THR A 74 -8.850 -8.912 -3.510 1.00 0.00 H new ATOM 0 HA THR A 74 -10.628 -11.250 -3.531 1.00 0.00 H new ATOM 0 HB THR A 74 -10.487 -11.068 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.130 -8.581 -5.752 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.669 -8.922 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.235 -9.803 -4.823 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.130 -8.420 -4.642 1.00 0.00 H new ATOM 1166 N THR A 75 -7.409 -11.204 -3.876 1.00 0.00 N ATOM 1167 CA THR A 75 -6.208 -12.024 -3.990 1.00 0.00 C ATOM 1168 C THR A 75 -5.232 -11.728 -2.857 1.00 0.00 C ATOM 1169 O THR A 75 -5.023 -10.579 -2.469 1.00 0.00 O ATOM 1170 CB THR A 75 -5.498 -11.797 -5.338 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.363 -12.168 -6.415 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.210 -12.601 -5.413 1.00 0.00 C ATOM 0 H THR A 75 -7.237 -10.243 -3.581 1.00 0.00 H new ATOM 0 HA THR A 75 -6.528 -13.064 -3.928 1.00 0.00 H new ATOM 0 HB THR A 75 -5.251 -10.739 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.146 -11.634 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.726 -12.425 -6.374 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.542 -12.294 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.437 -13.662 -5.311 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.617 -12.789 -2.313 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.651 -12.669 -1.218 1.00 0.00 C ATOM 1182 C PRO A 76 -2.346 -12.018 -1.664 1.00 0.00 C ATOM 1183 O PRO A 76 -1.672 -12.515 -2.565 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.409 -14.120 -0.796 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.719 -14.924 -2.012 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.818 -14.188 -2.726 1.00 0.00 C ATOM 0 HA PRO A 76 -4.024 -12.034 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.379 -14.272 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.050 -14.402 0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.839 -15.025 -2.648 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.035 -15.932 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.742 -14.303 -3.807 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.802 -14.555 -2.435 1.00 0.00 H new ATOM 1194 N ALA A 77 -1.996 -10.905 -1.028 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.771 -10.189 -1.360 1.00 0.00 C ATOM 1196 C ALA A 77 0.399 -10.684 -0.516 1.00 0.00 C ATOM 1197 O ALA A 77 0.715 -10.106 0.526 1.00 0.00 O ATOM 1198 CB ALA A 77 -0.966 -8.692 -1.168 1.00 0.00 C ATOM 0 H ALA A 77 -2.544 -10.480 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.538 -10.383 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.043 -8.170 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.769 -8.343 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.226 -8.489 -0.129 1.00 0.00 H new ATOM 1204 N LEU A 78 1.039 -11.756 -0.971 1.00 0.00 N ATOM 1205 CA LEU A 78 2.174 -12.329 -0.256 1.00 0.00 C ATOM 1206 C LEU A 78 3.461 -11.577 -0.584 1.00 0.00 C ATOM 1207 O LEU A 78 3.995 -11.692 -1.686 1.00 0.00 O ATOM 1208 CB LEU A 78 2.331 -13.809 -0.612 1.00 0.00 C ATOM 1209 CG LEU A 78 1.174 -14.723 -0.207 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.499 -16.171 -0.532 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.862 -14.563 1.274 1.00 0.00 C ATOM 0 H LEU A 78 0.791 -12.245 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 78 1.983 -12.236 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.471 -13.890 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.242 -14.180 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 78 0.291 -14.434 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.664 -16.806 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.672 -16.273 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.395 -16.473 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.036 -15.221 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.742 -14.825 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.584 -13.529 1.478 1.00 0.00 H new ATOM 1223 N VAL A 79 3.952 -10.807 0.382 1.00 0.00 N ATOM 1224 CA VAL A 79 5.177 -10.038 0.198 1.00 0.00 C ATOM 1225 C VAL A 79 6.392 -10.811 0.699 1.00 0.00 C ATOM 1226 O VAL A 79 6.448 -11.214 1.861 1.00 0.00 O ATOM 1227 CB VAL A 79 5.105 -8.685 0.928 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.431 -7.946 0.817 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.967 -7.840 0.374 1.00 0.00 C ATOM 0 H VAL A 79 3.520 -10.699 1.300 1.00 0.00 H new ATOM 0 HA VAL A 79 5.281 -9.859 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 79 4.908 -8.872 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.361 -6.992 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.222 -8.548 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.662 -7.769 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.931 -6.887 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.131 -7.660 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.023 -8.367 0.511 1.00 0.00 H new ATOM 1239 N PHE A 80 7.364 -11.013 -0.184 1.00 0.00 N ATOM 1240 CA PHE A 80 8.578 -11.738 0.169 1.00 0.00 C ATOM 1241 C PHE A 80 8.264 -13.189 0.520 1.00 0.00 C ATOM 1242 O PHE A 80 9.137 -13.938 0.957 1.00 0.00 O ATOM 1243 CB PHE A 80 9.280 -11.058 1.347 1.00 0.00 C ATOM 1244 CG PHE A 80 10.306 -10.044 0.928 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.257 -10.356 -0.031 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.321 -8.779 1.494 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.203 -9.426 -0.417 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.265 -7.844 1.111 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.205 -8.168 0.154 1.00 0.00 C ATOM 0 H PHE A 80 7.334 -10.685 -1.149 1.00 0.00 H new ATOM 0 HA PHE A 80 9.241 -11.727 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.533 -10.570 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.762 -11.819 1.961 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.258 -11.337 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.587 -8.521 2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.940 -9.682 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.267 -6.862 1.560 1.00 0.00 H new ATOM 0 HZ PHE A 80 12.942 -7.439 -0.148 1.00 0.00 H new ATOM 1259 N GLY A 81 7.007 -13.580 0.323 1.00 0.00 N ATOM 1260 CA GLY A 81 6.599 -14.939 0.625 1.00 0.00 C ATOM 1261 C GLY A 81 5.590 -15.004 1.754 1.00 0.00 C ATOM 1262 O GLY A 81 4.902 -16.012 1.927 1.00 0.00 O ATOM 0 H GLY A 81 6.266 -12.980 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.170 -15.393 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.477 -15.528 0.892 1.00 0.00 H new ATOM 1266 N LYS A 82 5.501 -13.928 2.530 1.00 0.00 N ATOM 1267 CA LYS A 82 4.571 -13.866 3.650 1.00 0.00 C ATOM 1268 C LYS A 82 3.412 -12.923 3.343 1.00 0.00 C ATOM 1269 O LYS A 82 3.533 -11.990 2.548 1.00 0.00 O ATOM 1270 CB LYS A 82 5.295 -13.405 4.917 1.00 0.00 C ATOM 1271 CG LYS A 82 6.030 -12.087 4.752 1.00 0.00 C ATOM 1272 CD LYS A 82 7.522 -12.299 4.566 1.00 0.00 C ATOM 1273 CE LYS A 82 8.294 -10.998 4.723 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.765 -11.229 4.775 1.00 0.00 N ATOM 0 H LYS A 82 6.063 -13.086 2.403 1.00 0.00 H new ATOM 0 HA LYS A 82 4.170 -14.866 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.570 -13.308 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.007 -14.173 5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.628 -11.551 3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.857 -11.461 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.881 -13.026 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.711 -12.718 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.060 -10.334 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.973 -10.493 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.097 -11.136 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.979 -12.185 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.248 -10.527 4.178 1.00 0.00 H new ATOM 1288 N PRO A 83 2.262 -13.168 3.987 1.00 0.00 N ATOM 1289 CA PRO A 83 1.059 -12.350 3.799 1.00 0.00 C ATOM 1290 C PRO A 83 1.209 -10.954 4.396 1.00 0.00 C ATOM 1291 O PRO A 83 1.915 -10.765 5.386 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.023 -13.136 4.543 1.00 0.00 C ATOM 1293 CG PRO A 83 0.716 -13.926 5.566 1.00 0.00 C ATOM 1294 CD PRO A 83 2.045 -14.263 4.948 1.00 0.00 C ATOM 0 HA PRO A 83 0.837 -12.186 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.748 -12.468 5.007 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.576 -13.786 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.846 -13.352 6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.168 -14.830 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.837 -14.304 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.023 -15.234 4.453 1.00 0.00 H new ATOM 1302 N VAL A 84 0.540 -9.981 3.786 1.00 0.00 N ATOM 1303 CA VAL A 84 0.598 -8.602 4.258 1.00 0.00 C ATOM 1304 C VAL A 84 -0.779 -7.949 4.216 1.00 0.00 C ATOM 1305 O VAL A 84 -1.771 -8.590 3.870 1.00 0.00 O ATOM 1306 CB VAL A 84 1.580 -7.763 3.419 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.978 -8.359 3.477 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.095 -7.657 1.982 1.00 0.00 C ATOM 0 H VAL A 84 -0.048 -10.122 2.965 1.00 0.00 H new ATOM 0 HA VAL A 84 0.950 -8.634 5.289 1.00 0.00 H new ATOM 0 HB VAL A 84 1.623 -6.758 3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.657 -7.752 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.323 -8.377 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.957 -9.375 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.800 -7.061 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.021 -8.654 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.115 -7.180 1.963 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.831 -6.669 4.568 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.086 -5.927 4.571 1.00 0.00 C ATOM 1320 C ARG A 85 -2.037 -4.772 3.575 1.00 0.00 C ATOM 1321 O ARG A 85 -1.007 -4.117 3.417 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.386 -5.395 5.973 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.164 -6.370 6.841 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.801 -5.669 8.031 1.00 0.00 C ATOM 1325 NE ARG A 85 -3.536 -6.370 9.285 1.00 0.00 N ATOM 1326 CZ ARG A 85 -4.002 -7.582 9.562 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.752 -8.225 8.678 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -3.717 -8.154 10.725 1.00 0.00 N ATOM 0 H ARG A 85 -0.018 -6.124 4.855 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.882 -6.608 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.446 -5.151 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.952 -4.467 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.938 -6.853 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.497 -7.156 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.420 -4.650 8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.878 -5.598 7.876 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.961 -5.903 9.986 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.972 -7.789 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.109 -9.156 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.139 -7.663 11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.076 -9.085 10.937 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.159 -4.526 2.905 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.245 -3.449 1.927 1.00 0.00 C ATOM 1344 C VAL A 86 -4.545 -2.669 2.080 1.00 0.00 C ATOM 1345 O VAL A 86 -5.633 -3.210 1.880 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.150 -3.991 0.487 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.326 -2.865 -0.519 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.825 -4.707 0.274 1.00 0.00 C ATOM 0 H VAL A 86 -4.021 -5.059 3.022 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.402 -2.783 2.114 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.954 -4.711 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.256 -3.266 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.303 -2.402 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.546 -2.119 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.775 -5.083 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.004 -4.011 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.746 -5.541 0.972 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.425 -1.394 2.435 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.593 -0.537 2.614 1.00 0.00 C ATOM 1360 C HIS A 87 -5.408 0.791 1.887 1.00 0.00 C ATOM 1361 O HIS A 87 -4.301 1.135 1.471 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.845 -0.288 4.101 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.060 -1.542 4.891 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.586 -1.715 6.174 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.707 -2.687 4.573 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.929 -2.913 6.611 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.611 -3.524 5.659 1.00 0.00 N ATOM 0 H HIS A 87 -3.532 -0.931 2.604 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.457 -1.047 2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.997 0.254 4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.719 0.355 4.210 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.206 -2.903 3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.692 -3.323 7.582 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.003 -4.464 5.720 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.499 1.534 1.737 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.458 2.825 1.059 1.00 0.00 C ATOM 1377 C LEU A 88 -6.567 3.970 2.061 1.00 0.00 C ATOM 1378 O LEU A 88 -7.619 4.596 2.191 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.588 2.921 0.032 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.245 3.623 -1.281 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -6.853 5.071 -1.026 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.126 2.886 -2.004 1.00 0.00 C ATOM 0 H LEU A 88 -7.423 1.265 2.076 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.501 2.907 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.930 1.912 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.426 3.444 0.492 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.130 3.614 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.612 5.555 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.683 5.595 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.983 5.102 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.895 3.400 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.238 2.863 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.443 1.866 -2.221 1.00 0.00 H new ATOM 1394 N SER A 89 -5.473 4.240 2.766 1.00 0.00 N ATOM 1395 CA SER A 89 -5.446 5.308 3.758 1.00 0.00 C ATOM 1396 C SER A 89 -5.524 6.675 3.085 1.00 0.00 C ATOM 1397 O SER A 89 -5.667 6.771 1.867 1.00 0.00 O ATOM 1398 CB SER A 89 -4.176 5.214 4.604 1.00 0.00 C ATOM 1399 OG SER A 89 -4.406 5.678 5.923 1.00 0.00 O ATOM 0 H SER A 89 -4.593 3.733 2.668 1.00 0.00 H new ATOM 0 HA SER A 89 -6.314 5.192 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.831 4.181 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.383 5.802 4.142 1.00 0.00 H new ATOM 0 HG SER A 89 -3.579 5.606 6.444 1.00 0.00 H new ATOM 1405 N GLN A 90 -5.430 7.729 3.890 1.00 0.00 N ATOM 1406 CA GLN A 90 -5.490 9.091 3.373 1.00 0.00 C ATOM 1407 C GLN A 90 -4.375 9.948 3.964 1.00 0.00 C ATOM 1408 O GLN A 90 -3.661 9.517 4.871 1.00 0.00 O ATOM 1409 CB GLN A 90 -6.850 9.717 3.685 1.00 0.00 C ATOM 1410 CG GLN A 90 -7.189 9.730 5.168 1.00 0.00 C ATOM 1411 CD GLN A 90 -7.244 11.132 5.741 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -6.522 11.459 6.683 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -8.106 11.969 5.176 1.00 0.00 N ATOM 0 H GLN A 90 -5.312 7.666 4.901 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.356 9.049 2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.865 10.740 3.309 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.625 9.169 3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.151 9.241 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.445 9.148 5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.685 11.656 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.189 12.925 5.521 1.00 0.00 H new ATOM 1422 N LYS A 91 -4.230 11.162 3.445 1.00 0.00 N ATOM 1423 CA LYS A 91 -3.202 12.080 3.922 1.00 0.00 C ATOM 1424 C LYS A 91 -1.842 11.731 3.326 1.00 0.00 C ATOM 1425 O LYS A 91 -1.755 11.010 2.332 1.00 0.00 O ATOM 1426 CB LYS A 91 -3.127 12.045 5.450 1.00 0.00 C ATOM 1427 CG LYS A 91 -2.735 13.376 6.070 1.00 0.00 C ATOM 1428 CD LYS A 91 -1.709 13.194 7.177 1.00 0.00 C ATOM 1429 CE LYS A 91 -1.998 14.107 8.359 1.00 0.00 C ATOM 1430 NZ LYS A 91 -2.218 13.336 9.614 1.00 0.00 N ATOM 0 H LYS A 91 -4.811 11.534 2.694 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.471 13.086 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.096 11.740 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.406 11.286 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.329 14.032 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.622 13.867 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.710 12.156 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.712 13.403 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.165 14.797 8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.880 14.711 8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.412 13.994 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.029 12.696 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.367 12.779 9.833 1.00 0.00 H new ATOM 1444 N TYR A 92 -0.783 12.245 3.941 1.00 0.00 N ATOM 1445 CA TYR A 92 0.573 11.988 3.470 1.00 0.00 C ATOM 1446 C TYR A 92 0.746 12.450 2.027 1.00 0.00 C ATOM 1447 O TYR A 92 1.177 11.684 1.165 1.00 0.00 O ATOM 1448 CB TYR A 92 0.901 10.499 3.585 1.00 0.00 C ATOM 1449 CG TYR A 92 1.276 10.066 4.984 1.00 0.00 C ATOM 1450 CD1 TYR A 92 0.315 9.967 5.983 1.00 0.00 C ATOM 1451 CD2 TYR A 92 2.591 9.757 5.308 1.00 0.00 C ATOM 1452 CE1 TYR A 92 0.653 9.573 7.263 1.00 0.00 C ATOM 1453 CE2 TYR A 92 2.938 9.361 6.586 1.00 0.00 C ATOM 1454 CZ TYR A 92 1.965 9.271 7.558 1.00 0.00 C ATOM 1455 OH TYR A 92 2.306 8.877 8.833 1.00 0.00 O ATOM 0 H TYR A 92 -0.837 12.842 4.766 1.00 0.00 H new ATOM 0 HA TYR A 92 1.262 12.554 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.039 9.919 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.723 10.264 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.714 10.202 5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.355 9.827 4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.106 9.502 8.028 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.965 9.124 6.821 1.00 0.00 H new ATOM 0 HH TYR A 92 3.269 8.700 8.874 1.00 0.00 H new ATOM 1465 N LYS A 93 0.406 13.709 1.770 1.00 0.00 N ATOM 1466 CA LYS A 93 0.525 14.276 0.433 1.00 0.00 C ATOM 1467 C LYS A 93 1.978 14.602 0.106 1.00 0.00 C ATOM 1468 O LYS A 93 2.453 14.328 -0.996 1.00 0.00 O ATOM 1469 CB LYS A 93 -0.332 15.539 0.314 1.00 0.00 C ATOM 1470 CG LYS A 93 -1.691 15.296 -0.318 1.00 0.00 C ATOM 1471 CD LYS A 93 -1.768 15.881 -1.718 1.00 0.00 C ATOM 1472 CE LYS A 93 -3.202 15.933 -2.222 1.00 0.00 C ATOM 1473 NZ LYS A 93 -3.284 16.478 -3.606 1.00 0.00 N ATOM 0 H LYS A 93 0.046 14.356 2.471 1.00 0.00 H new ATOM 0 HA LYS A 93 0.169 13.534 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.474 15.966 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.207 16.279 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.888 14.225 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.468 15.739 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.345 16.885 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.164 15.281 -2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.631 14.931 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.800 16.551 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.277 16.497 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.898 17.443 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.734 15.874 -4.250 1.00 0.00 H new ATOM 1487 N ARG A 94 2.679 15.188 1.071 1.00 0.00 N ATOM 1488 CA ARG A 94 4.079 15.550 0.886 1.00 0.00 C ATOM 1489 C ARG A 94 4.991 14.356 1.152 1.00 0.00 C ATOM 1490 O ARG A 94 5.659 14.290 2.184 1.00 0.00 O ATOM 1491 CB ARG A 94 4.456 16.708 1.812 1.00 0.00 C ATOM 1492 CG ARG A 94 4.509 18.056 1.112 1.00 0.00 C ATOM 1493 CD ARG A 94 5.523 18.055 -0.022 1.00 0.00 C ATOM 1494 NE ARG A 94 6.600 19.015 0.207 1.00 0.00 N ATOM 1495 CZ ARG A 94 7.679 18.749 0.937 1.00 0.00 C ATOM 1496 NH1 ARG A 94 7.823 17.560 1.503 1.00 0.00 N ATOM 1497 NH2 ARG A 94 8.616 19.675 1.099 1.00 0.00 N ATOM 0 H ARG A 94 2.300 15.422 1.989 1.00 0.00 H new ATOM 0 HA ARG A 94 4.212 15.863 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.734 16.760 2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.428 16.502 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.522 18.302 0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.768 18.832 1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.945 17.056 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.019 18.292 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 94 6.520 19.940 -0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.105 16.846 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.652 17.359 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.508 20.591 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.444 19.471 1.659 1.00 0.00 H new ATOM 1511 N ILE A 95 5.011 13.413 0.215 1.00 0.00 N ATOM 1512 CA ILE A 95 5.840 12.222 0.348 1.00 0.00 C ATOM 1513 C ILE A 95 7.171 12.395 -0.376 1.00 0.00 C ATOM 1514 O ILE A 95 7.224 12.924 -1.486 1.00 0.00 O ATOM 1515 CB ILE A 95 5.126 10.975 -0.205 1.00 0.00 C ATOM 1516 CG1 ILE A 95 3.942 10.600 0.688 1.00 0.00 C ATOM 1517 CG2 ILE A 95 6.102 9.813 -0.318 1.00 0.00 C ATOM 1518 CD1 ILE A 95 3.025 9.566 0.073 1.00 0.00 C ATOM 0 H ILE A 95 4.462 13.451 -0.644 1.00 0.00 H new ATOM 0 HA ILE A 95 6.024 12.083 1.413 1.00 0.00 H new ATOM 0 HB ILE A 95 4.746 11.203 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.319 10.220 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.366 11.498 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.583 8.939 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.915 10.085 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.508 9.582 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.208 9.349 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.618 9.951 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.587 8.653 -0.124 1.00 0.00 H new ATOM 1530 N LYS A 96 8.247 11.944 0.261 1.00 0.00 N ATOM 1531 CA LYS A 96 9.580 12.045 -0.322 1.00 0.00 C ATOM 1532 C LYS A 96 10.608 11.325 0.544 1.00 0.00 C ATOM 1533 O LYS A 96 11.148 11.899 1.490 1.00 0.00 O ATOM 1534 CB LYS A 96 9.976 13.514 -0.488 1.00 0.00 C ATOM 1535 CG LYS A 96 11.300 13.709 -1.206 1.00 0.00 C ATOM 1536 CD LYS A 96 12.161 14.753 -0.516 1.00 0.00 C ATOM 1537 CE LYS A 96 13.032 15.505 -1.510 1.00 0.00 C ATOM 1538 NZ LYS A 96 13.644 16.720 -0.904 1.00 0.00 N ATOM 0 H LYS A 96 8.222 11.505 1.181 1.00 0.00 H new ATOM 0 HA LYS A 96 9.558 11.568 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.193 14.033 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.034 13.980 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.837 12.761 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.115 14.012 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.523 15.458 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.793 14.270 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.819 14.845 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.432 15.793 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.230 17.204 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.893 17.362 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.237 16.444 -0.096 1.00 0.00 H new ATOM 1552 N SER A 97 10.876 10.066 0.214 1.00 0.00 N ATOM 1553 CA SER A 97 11.838 9.267 0.963 1.00 0.00 C ATOM 1554 C SER A 97 13.202 9.277 0.280 1.00 0.00 C ATOM 1555 O SER A 97 13.520 8.392 -0.512 1.00 0.00 O ATOM 1556 CB SER A 97 11.338 7.828 1.106 1.00 0.00 C ATOM 1557 OG SER A 97 11.454 7.378 2.445 1.00 0.00 O ATOM 0 H SER A 97 10.440 9.577 -0.568 1.00 0.00 H new ATOM 0 HA SER A 97 11.944 9.708 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.297 7.768 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.910 7.174 0.448 1.00 0.00 H new ATOM 0 HG SER A 97 11.126 6.457 2.510 1.00 0.00 H new ATOM 1563 N GLY A 98 14.006 10.289 0.594 1.00 0.00 N ATOM 1564 CA GLY A 98 15.327 10.398 0.002 1.00 0.00 C ATOM 1565 C GLY A 98 16.383 10.803 1.011 1.00 0.00 C ATOM 1566 O GLY A 98 16.119 10.909 2.208 1.00 0.00 O ATOM 0 H GLY A 98 13.766 11.035 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.602 9.442 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.301 11.130 -0.805 1.00 0.00 H new ATOM 1570 N PRO A 99 17.613 11.034 0.526 1.00 0.00 N ATOM 1571 CA PRO A 99 18.737 11.430 1.378 1.00 0.00 C ATOM 1572 C PRO A 99 18.580 12.845 1.924 1.00 0.00 C ATOM 1573 O PRO A 99 19.005 13.142 3.040 1.00 0.00 O ATOM 1574 CB PRO A 99 19.941 11.351 0.437 1.00 0.00 C ATOM 1575 CG PRO A 99 19.370 11.542 -0.926 1.00 0.00 C ATOM 1576 CD PRO A 99 17.998 10.924 -0.891 1.00 0.00 C ATOM 0 HA PRO A 99 18.825 10.794 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 99 20.676 12.121 0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.448 10.390 0.523 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.315 12.600 -1.181 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.994 11.064 -1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.301 11.455 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.016 9.886 -1.224 1.00 0.00 H new ATOM 1584 N SER A 100 17.966 13.716 1.129 1.00 0.00 N ATOM 1585 CA SER A 100 17.755 15.101 1.531 1.00 0.00 C ATOM 1586 C SER A 100 17.455 15.194 3.024 1.00 0.00 C ATOM 1587 O SER A 100 16.539 14.543 3.526 1.00 0.00 O ATOM 1588 CB SER A 100 16.608 15.719 0.729 1.00 0.00 C ATOM 1589 OG SER A 100 15.381 15.068 1.011 1.00 0.00 O ATOM 0 H SER A 100 17.606 13.486 0.203 1.00 0.00 H new ATOM 0 HA SER A 100 18.671 15.656 1.327 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.524 16.779 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.825 15.647 -0.337 1.00 0.00 H new ATOM 0 HG SER A 100 15.380 14.760 1.941 1.00 0.00 H new ATOM 1595 N SER A 101 18.234 16.008 3.729 1.00 0.00 N ATOM 1596 CA SER A 101 18.055 16.185 5.165 1.00 0.00 C ATOM 1597 C SER A 101 18.708 17.480 5.639 1.00 0.00 C ATOM 1598 O SER A 101 19.933 17.582 5.708 1.00 0.00 O ATOM 1599 CB SER A 101 18.646 14.995 5.924 1.00 0.00 C ATOM 1600 OG SER A 101 18.147 14.936 7.249 1.00 0.00 O ATOM 0 H SER A 101 18.996 16.556 3.329 1.00 0.00 H new ATOM 0 HA SER A 101 16.986 16.242 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 101 18.406 14.070 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 101 19.733 15.076 5.945 1.00 0.00 H new ATOM 0 HG SER A 101 18.539 14.166 7.712 1.00 0.00 H new ATOM 1606 N GLY A 102 17.880 18.467 5.967 1.00 0.00 N ATOM 1607 CA GLY A 102 18.395 19.743 6.430 1.00 0.00 C ATOM 1608 C GLY A 102 19.348 20.379 5.438 1.00 0.00 C ATOM 1609 O GLY A 102 19.050 21.427 4.865 1.00 0.00 O ATOM 0 H GLY A 102 16.863 18.406 5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 102 17.562 20.422 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 102 18.908 19.601 7.381 1.00 0.00 H new TER 1613 GLY A 102