USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 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 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= -0.181 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 13 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc=-0.000311 (180deg=-0.079) USER MOD Single : A 18 GLN : amide:sc= -5.09! C(o=-5.1!,f=-5.4!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 48:sc= -0.154 USER MOD Single : A 36 SER OG : rot 40:sc= 0.0229 USER MOD Single : A 41 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.014) USER MOD Single : A 45 SER OG : rot 32:sc= 0.771 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.791 K(o=-0.79,f=-6.6!) USER MOD Single : A 64 ASN : amide:sc= -1.44 K(o=-1.4,f=-3.5!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.782 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.185 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.620 -15.307 33.004 1.00 0.00 N ATOM 2 CA GLY A 1 0.763 -14.502 32.154 1.00 0.00 C ATOM 3 C GLY A 1 1.550 -13.594 31.230 1.00 0.00 C ATOM 4 O GLY A 1 1.903 -13.985 30.118 1.00 0.00 O ATOM 0 H1 GLY A 1 1.034 -15.910 33.616 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.232 -15.905 32.413 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.209 -14.684 33.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.127 -15.158 31.559 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.103 -13.898 32.777 1.00 0.00 H new ATOM 8 N SER A 2 1.824 -12.378 31.691 1.00 0.00 N ATOM 9 CA SER A 2 2.569 -11.409 30.896 1.00 0.00 C ATOM 10 C SER A 2 3.525 -10.606 31.773 1.00 0.00 C ATOM 11 O SER A 2 3.160 -10.162 32.862 1.00 0.00 O ATOM 12 CB SER A 2 1.608 -10.465 30.171 1.00 0.00 C ATOM 13 OG SER A 2 0.745 -9.814 31.087 1.00 0.00 O ATOM 0 H SER A 2 1.541 -12.040 32.611 1.00 0.00 H new ATOM 0 HA SER A 2 3.155 -11.956 30.157 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.176 -9.722 29.611 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.018 -11.027 29.447 1.00 0.00 H new ATOM 0 HG SER A 2 0.142 -9.215 30.599 1.00 0.00 H new ATOM 19 N SER A 3 4.750 -10.424 31.291 1.00 0.00 N ATOM 20 CA SER A 3 5.760 -9.678 32.032 1.00 0.00 C ATOM 21 C SER A 3 6.799 -9.083 31.086 1.00 0.00 C ATOM 22 O SER A 3 6.893 -9.475 29.924 1.00 0.00 O ATOM 23 CB SER A 3 6.446 -10.585 33.055 1.00 0.00 C ATOM 24 OG SER A 3 5.496 -11.194 33.913 1.00 0.00 O ATOM 0 H SER A 3 5.067 -10.783 30.390 1.00 0.00 H new ATOM 0 HA SER A 3 5.262 -8.862 32.556 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.019 -11.354 32.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.154 -10.003 33.645 1.00 0.00 H new ATOM 0 HG SER A 3 5.959 -11.770 34.557 1.00 0.00 H new ATOM 30 N GLY A 4 7.578 -8.133 31.594 1.00 0.00 N ATOM 31 CA GLY A 4 8.600 -7.499 30.782 1.00 0.00 C ATOM 32 C GLY A 4 9.662 -8.476 30.319 1.00 0.00 C ATOM 33 O GLY A 4 9.415 -9.303 29.442 1.00 0.00 O ATOM 0 H GLY A 4 7.520 -7.791 32.553 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.133 -7.036 29.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.071 -6.700 31.355 1.00 0.00 H new ATOM 37 N SER A 5 10.849 -8.380 30.910 1.00 0.00 N ATOM 38 CA SER A 5 11.955 -9.259 30.549 1.00 0.00 C ATOM 39 C SER A 5 12.216 -9.216 29.046 1.00 0.00 C ATOM 40 O SER A 5 12.343 -10.254 28.397 1.00 0.00 O ATOM 41 CB SER A 5 11.656 -10.695 30.985 1.00 0.00 C ATOM 42 OG SER A 5 11.301 -10.749 32.356 1.00 0.00 O ATOM 0 H SER A 5 11.069 -7.703 31.640 1.00 0.00 H new ATOM 0 HA SER A 5 12.849 -8.908 31.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.845 -11.101 30.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.530 -11.322 30.808 1.00 0.00 H new ATOM 0 HG SER A 5 11.113 -11.677 32.609 1.00 0.00 H new ATOM 48 N SER A 6 12.294 -8.007 28.500 1.00 0.00 N ATOM 49 CA SER A 6 12.535 -7.826 27.074 1.00 0.00 C ATOM 50 C SER A 6 13.664 -8.734 26.595 1.00 0.00 C ATOM 51 O SER A 6 14.539 -9.117 27.370 1.00 0.00 O ATOM 52 CB SER A 6 12.878 -6.366 26.774 1.00 0.00 C ATOM 53 OG SER A 6 11.704 -5.599 26.564 1.00 0.00 O ATOM 0 H SER A 6 12.194 -7.138 29.024 1.00 0.00 H new ATOM 0 HA SER A 6 11.624 -8.095 26.540 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.448 -5.945 27.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.514 -6.313 25.890 1.00 0.00 H new ATOM 0 HG SER A 6 11.950 -4.669 26.376 1.00 0.00 H new ATOM 59 N GLY A 7 13.637 -9.074 25.310 1.00 0.00 N ATOM 60 CA GLY A 7 14.662 -9.934 24.748 1.00 0.00 C ATOM 61 C GLY A 7 15.082 -9.503 23.357 1.00 0.00 C ATOM 62 O GLY A 7 14.453 -8.635 22.753 1.00 0.00 O ATOM 0 H GLY A 7 12.923 -8.769 24.648 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.533 -9.933 25.404 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.292 -10.959 24.711 1.00 0.00 H new ATOM 66 N GLU A 8 16.150 -10.110 22.848 1.00 0.00 N ATOM 67 CA GLU A 8 16.654 -9.781 21.519 1.00 0.00 C ATOM 68 C GLU A 8 16.514 -10.972 20.575 1.00 0.00 C ATOM 69 O GLU A 8 16.664 -12.123 20.983 1.00 0.00 O ATOM 70 CB GLU A 8 18.119 -9.348 21.598 1.00 0.00 C ATOM 71 CG GLU A 8 18.752 -9.093 20.241 1.00 0.00 C ATOM 72 CD GLU A 8 18.294 -7.789 19.618 1.00 0.00 C ATOM 73 OE1 GLU A 8 17.236 -7.789 18.953 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.991 -6.768 19.796 1.00 0.00 O ATOM 0 H GLU A 8 16.682 -10.831 23.335 1.00 0.00 H new ATOM 0 HA GLU A 8 16.060 -8.956 21.126 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.189 -8.441 22.198 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.689 -10.119 22.117 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.837 -9.079 20.347 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.508 -9.917 19.570 1.00 0.00 H new ATOM 81 N GLY A 9 16.227 -10.685 19.309 1.00 0.00 N ATOM 82 CA GLY A 9 16.071 -11.741 18.326 1.00 0.00 C ATOM 83 C GLY A 9 15.751 -11.205 16.944 1.00 0.00 C ATOM 84 O GLY A 9 16.600 -10.590 16.298 1.00 0.00 O ATOM 0 H GLY A 9 16.100 -9.740 18.947 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.988 -12.329 18.281 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.275 -12.415 18.644 1.00 0.00 H new ATOM 88 N ASP A 10 14.525 -11.439 16.490 1.00 0.00 N ATOM 89 CA ASP A 10 14.095 -10.975 15.176 1.00 0.00 C ATOM 90 C ASP A 10 12.896 -10.040 15.295 1.00 0.00 C ATOM 91 O ASP A 10 11.778 -10.371 14.902 1.00 0.00 O ATOM 92 CB ASP A 10 13.742 -12.165 14.282 1.00 0.00 C ATOM 93 CG ASP A 10 13.043 -13.274 15.044 1.00 0.00 C ATOM 94 OD1 ASP A 10 13.713 -13.955 15.848 1.00 0.00 O ATOM 95 OD2 ASP A 10 11.826 -13.462 14.835 1.00 0.00 O ATOM 0 H ASP A 10 13.811 -11.947 17.012 1.00 0.00 H new ATOM 0 HA ASP A 10 14.920 -10.423 14.725 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.100 -11.827 13.468 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.652 -12.557 13.828 1.00 0.00 H new ATOM 100 N PRO A 11 13.133 -8.842 15.851 1.00 0.00 N ATOM 101 CA PRO A 11 12.085 -7.834 16.035 1.00 0.00 C ATOM 102 C PRO A 11 11.616 -7.237 14.713 1.00 0.00 C ATOM 103 O PRO A 11 12.133 -7.578 13.650 1.00 0.00 O ATOM 104 CB PRO A 11 12.767 -6.765 16.892 1.00 0.00 C ATOM 105 CG PRO A 11 14.220 -6.915 16.598 1.00 0.00 C ATOM 106 CD PRO A 11 14.442 -8.380 16.342 1.00 0.00 C ATOM 0 HA PRO A 11 11.189 -8.257 16.490 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.412 -5.767 16.636 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.560 -6.915 17.952 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.506 -6.320 15.731 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.825 -6.569 17.436 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.228 -8.545 15.606 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.740 -8.906 17.249 1.00 0.00 H new ATOM 114 N GLU A 12 10.633 -6.344 14.787 1.00 0.00 N ATOM 115 CA GLU A 12 10.095 -5.701 13.595 1.00 0.00 C ATOM 116 C GLU A 12 10.594 -4.263 13.480 1.00 0.00 C ATOM 117 O GLU A 12 10.171 -3.386 14.232 1.00 0.00 O ATOM 118 CB GLU A 12 8.565 -5.720 13.624 1.00 0.00 C ATOM 119 CG GLU A 12 7.970 -7.104 13.429 1.00 0.00 C ATOM 120 CD GLU A 12 7.942 -7.527 11.973 1.00 0.00 C ATOM 121 OE1 GLU A 12 9.026 -7.788 11.410 1.00 0.00 O ATOM 122 OE2 GLU A 12 6.837 -7.598 11.396 1.00 0.00 O ATOM 0 H GLU A 12 10.194 -6.050 15.660 1.00 0.00 H new ATOM 0 HA GLU A 12 10.442 -6.259 12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.223 -5.318 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.187 -5.058 12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.548 -7.828 14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.956 -7.119 13.827 1.00 0.00 H new ATOM 129 N ASN A 13 11.498 -4.031 12.534 1.00 0.00 N ATOM 130 CA ASN A 13 12.057 -2.701 12.321 1.00 0.00 C ATOM 131 C ASN A 13 11.062 -1.803 11.591 1.00 0.00 C ATOM 132 O ASN A 13 10.801 -0.677 12.012 1.00 0.00 O ATOM 133 CB ASN A 13 13.358 -2.793 11.521 1.00 0.00 C ATOM 134 CG ASN A 13 13.989 -1.435 11.283 1.00 0.00 C ATOM 135 OD1 ASN A 13 13.843 -0.920 10.068 1.00 0.00 O flip ATOM 136 ND2 ASN A 13 14.599 -0.855 12.182 1.00 0.00 N flip ATOM 0 H ASN A 13 11.859 -4.746 11.903 1.00 0.00 H new ATOM 0 HA ASN A 13 12.268 -2.263 13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.064 -3.430 12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.158 -3.271 10.562 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.686 -1.289 13.101 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.017 0.059 12.007 1.00 0.00 H new ATOM 143 N GLY A 14 10.508 -2.311 10.494 1.00 0.00 N ATOM 144 CA GLY A 14 9.548 -1.543 9.724 1.00 0.00 C ATOM 145 C GLY A 14 8.300 -1.211 10.518 1.00 0.00 C ATOM 146 O GLY A 14 8.131 -1.680 11.643 1.00 0.00 O ATOM 0 H GLY A 14 10.707 -3.241 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.015 -0.619 9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.269 -2.105 8.833 1.00 0.00 H new ATOM 150 N GLU A 15 7.426 -0.400 9.932 1.00 0.00 N ATOM 151 CA GLU A 15 6.189 -0.004 10.594 1.00 0.00 C ATOM 152 C GLU A 15 5.036 0.069 9.596 1.00 0.00 C ATOM 153 O GLU A 15 5.241 0.336 8.412 1.00 0.00 O ATOM 154 CB GLU A 15 6.365 1.349 11.287 1.00 0.00 C ATOM 155 CG GLU A 15 5.065 1.941 11.806 1.00 0.00 C ATOM 156 CD GLU A 15 4.606 1.296 13.099 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.371 1.331 14.085 1.00 0.00 O ATOM 158 OE2 GLU A 15 3.480 0.755 13.124 1.00 0.00 O ATOM 0 H GLU A 15 7.551 -0.004 9.000 1.00 0.00 H new ATOM 0 HA GLU A 15 5.951 -0.759 11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.060 1.234 12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.820 2.050 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.195 3.011 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.289 1.823 11.050 1.00 0.00 H new ATOM 165 N LYS A 16 3.823 -0.170 10.084 1.00 0.00 N ATOM 166 CA LYS A 16 2.637 -0.131 9.237 1.00 0.00 C ATOM 167 C LYS A 16 2.270 1.306 8.881 1.00 0.00 C ATOM 168 O LYS A 16 1.999 2.125 9.761 1.00 0.00 O ATOM 169 CB LYS A 16 1.460 -0.810 9.941 1.00 0.00 C ATOM 170 CG LYS A 16 1.539 -2.327 9.932 1.00 0.00 C ATOM 171 CD LYS A 16 0.226 -2.956 10.367 1.00 0.00 C ATOM 172 CE LYS A 16 -0.004 -2.789 11.862 1.00 0.00 C ATOM 173 NZ LYS A 16 0.892 -3.669 12.662 1.00 0.00 N ATOM 0 H LYS A 16 3.636 -0.393 11.062 1.00 0.00 H new ATOM 0 HA LYS A 16 2.861 -0.669 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.416 -0.463 10.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.532 -0.500 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.795 -2.673 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.338 -2.655 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.597 -2.499 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.228 -4.016 10.114 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.164 -1.749 12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.043 -3.018 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.583 -3.668 13.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.851 -4.638 12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.868 -3.316 12.603 1.00 0.00 H new ATOM 187 N LEU A 17 2.260 1.606 7.587 1.00 0.00 N ATOM 188 CA LEU A 17 1.924 2.944 7.114 1.00 0.00 C ATOM 189 C LEU A 17 0.818 2.890 6.065 1.00 0.00 C ATOM 190 O LEU A 17 0.679 1.899 5.348 1.00 0.00 O ATOM 191 CB LEU A 17 3.162 3.627 6.532 1.00 0.00 C ATOM 192 CG LEU A 17 4.392 3.674 7.439 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.660 3.820 6.612 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.273 4.812 8.441 1.00 0.00 C ATOM 0 H LEU A 17 2.481 0.940 6.846 1.00 0.00 H new ATOM 0 HA LEU A 17 1.564 3.523 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.435 3.114 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.895 4.649 6.262 1.00 0.00 H new ATOM 0 HG LEU A 17 4.448 2.736 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.525 3.852 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.753 2.971 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.613 4.742 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.157 4.830 9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.191 5.759 7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.386 4.664 9.056 1.00 0.00 H new ATOM 206 N GLN A 18 0.036 3.961 5.980 1.00 0.00 N ATOM 207 CA GLN A 18 -1.056 4.035 5.017 1.00 0.00 C ATOM 208 C GLN A 18 -0.918 5.268 4.130 1.00 0.00 C ATOM 209 O GLN A 18 -0.449 6.316 4.577 1.00 0.00 O ATOM 210 CB GLN A 18 -2.403 4.062 5.742 1.00 0.00 C ATOM 211 CG GLN A 18 -3.584 3.734 4.844 1.00 0.00 C ATOM 212 CD GLN A 18 -4.917 3.918 5.542 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.609 2.947 5.850 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.285 5.169 5.796 1.00 0.00 N ATOM 0 H GLN A 18 0.138 4.789 6.566 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.009 3.148 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.376 3.350 6.567 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.552 5.050 6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.551 4.370 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.498 2.704 4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.680 5.944 5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.172 5.355 6.264 1.00 0.00 H new ATOM 223 N ILE A 19 -1.328 5.136 2.874 1.00 0.00 N ATOM 224 CA ILE A 19 -1.250 6.240 1.925 1.00 0.00 C ATOM 225 C ILE A 19 -2.581 6.446 1.210 1.00 0.00 C ATOM 226 O ILE A 19 -3.289 5.486 0.904 1.00 0.00 O ATOM 227 CB ILE A 19 -0.148 6.004 0.876 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.199 5.767 1.563 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.061 7.188 -0.076 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.687 6.956 2.361 1.00 0.00 C ATOM 0 H ILE A 19 -1.718 4.276 2.489 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.007 7.133 2.500 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.402 5.115 0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.113 4.905 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.944 5.516 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.722 7.006 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.016 7.315 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.173 8.091 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.646 6.717 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.805 7.814 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.962 7.194 3.139 1.00 0.00 H new ATOM 242 N THR A 20 -2.916 7.704 0.944 1.00 0.00 N ATOM 243 CA THR A 20 -4.162 8.037 0.265 1.00 0.00 C ATOM 244 C THR A 20 -3.895 8.624 -1.116 1.00 0.00 C ATOM 245 O THR A 20 -3.362 9.728 -1.239 1.00 0.00 O ATOM 246 CB THR A 20 -4.999 9.038 1.083 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.348 8.466 2.348 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.262 9.429 0.331 1.00 0.00 C ATOM 0 H THR A 20 -2.341 8.510 1.189 1.00 0.00 H new ATOM 0 HA THR A 20 -4.722 7.108 0.160 1.00 0.00 H new ATOM 0 HB THR A 20 -4.399 9.934 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.879 9.109 2.863 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.837 10.137 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.992 9.891 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.864 8.540 0.143 1.00 0.00 H new ATOM 256 N ILE A 21 -4.268 7.882 -2.153 1.00 0.00 N ATOM 257 CA ILE A 21 -4.070 8.331 -3.525 1.00 0.00 C ATOM 258 C ILE A 21 -5.347 8.943 -4.093 1.00 0.00 C ATOM 259 O ILE A 21 -6.439 8.404 -3.913 1.00 0.00 O ATOM 260 CB ILE A 21 -3.619 7.175 -4.437 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.363 6.510 -3.870 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.366 7.681 -5.849 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.152 5.096 -4.363 1.00 0.00 C ATOM 0 H ILE A 21 -4.709 6.966 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.287 9.089 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.415 6.431 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.493 7.111 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.426 6.501 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.048 6.852 -6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.283 8.113 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.586 8.442 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.244 4.688 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.004 4.480 -4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.056 5.100 -5.449 1.00 0.00 H new ATOM 275 N ARG A 22 -5.200 10.071 -4.780 1.00 0.00 N ATOM 276 CA ARG A 22 -6.341 10.756 -5.376 1.00 0.00 C ATOM 277 C ARG A 22 -6.321 10.626 -6.896 1.00 0.00 C ATOM 278 O ARG A 22 -5.281 10.804 -7.530 1.00 0.00 O ATOM 279 CB ARG A 22 -6.340 12.233 -4.979 1.00 0.00 C ATOM 280 CG ARG A 22 -7.729 12.844 -4.899 1.00 0.00 C ATOM 281 CD ARG A 22 -7.702 14.204 -4.220 1.00 0.00 C ATOM 282 NE ARG A 22 -7.388 14.099 -2.797 1.00 0.00 N ATOM 283 CZ ARG A 22 -7.390 15.134 -1.965 1.00 0.00 C ATOM 284 NH1 ARG A 22 -7.689 16.347 -2.412 1.00 0.00 N ATOM 285 NH2 ARG A 22 -7.094 14.958 -0.684 1.00 0.00 N ATOM 0 H ARG A 22 -4.303 10.530 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.251 10.287 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.849 12.340 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.747 12.794 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.141 12.946 -5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.391 12.175 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.963 14.839 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.670 14.690 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.154 13.180 -2.422 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.918 16.486 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.690 17.141 -1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.864 14.027 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.096 15.754 -0.046 1.00 0.00 H new ATOM 299 N ARG A 23 -7.476 10.314 -7.474 1.00 0.00 N ATOM 300 CA ARG A 23 -7.591 10.158 -8.919 1.00 0.00 C ATOM 301 C ARG A 23 -6.919 11.320 -9.645 1.00 0.00 C ATOM 302 O ARG A 23 -7.511 12.386 -9.813 1.00 0.00 O ATOM 303 CB ARG A 23 -9.062 10.068 -9.329 1.00 0.00 C ATOM 304 CG ARG A 23 -9.274 9.469 -10.709 1.00 0.00 C ATOM 305 CD ARG A 23 -10.747 9.443 -11.085 1.00 0.00 C ATOM 306 NE ARG A 23 -10.952 9.007 -12.464 1.00 0.00 N ATOM 307 CZ ARG A 23 -12.077 9.213 -13.140 1.00 0.00 C ATOM 308 NH1 ARG A 23 -13.092 9.845 -12.567 1.00 0.00 N ATOM 309 NH2 ARG A 23 -12.188 8.786 -14.391 1.00 0.00 N ATOM 0 H ARG A 23 -8.346 10.164 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.086 9.234 -9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.599 9.467 -8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.499 11.066 -9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.719 10.048 -11.447 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.874 8.456 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.282 8.775 -10.410 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.173 10.438 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.190 8.518 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.010 10.174 -11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.955 10.002 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.409 8.299 -14.835 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.052 8.945 -14.909 1.00 0.00 H new ATOM 323 N GLY A 24 -5.679 11.106 -10.074 1.00 0.00 N ATOM 324 CA GLY A 24 -4.948 12.144 -10.777 1.00 0.00 C ATOM 325 C GLY A 24 -5.174 12.100 -12.275 1.00 0.00 C ATOM 326 O GLY A 24 -6.111 11.459 -12.750 1.00 0.00 O ATOM 0 H GLY A 24 -5.168 10.233 -9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.251 13.119 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.883 12.038 -10.570 1.00 0.00 H new ATOM 330 N LYS A 25 -4.314 12.784 -13.022 1.00 0.00 N ATOM 331 CA LYS A 25 -4.423 12.822 -14.475 1.00 0.00 C ATOM 332 C LYS A 25 -4.888 11.475 -15.021 1.00 0.00 C ATOM 333 O LYS A 25 -5.977 11.365 -15.584 1.00 0.00 O ATOM 334 CB LYS A 25 -3.078 13.200 -15.099 1.00 0.00 C ATOM 335 CG LYS A 25 -3.206 13.926 -16.427 1.00 0.00 C ATOM 336 CD LYS A 25 -3.255 12.952 -17.592 1.00 0.00 C ATOM 337 CE LYS A 25 -3.530 13.668 -18.906 1.00 0.00 C ATOM 338 NZ LYS A 25 -2.281 14.201 -19.519 1.00 0.00 N ATOM 0 H LYS A 25 -3.533 13.320 -12.644 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.164 13.577 -14.739 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.528 13.831 -14.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.487 12.295 -15.244 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.109 14.536 -16.424 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.363 14.605 -16.554 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.308 12.416 -17.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.031 12.207 -17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.011 12.980 -19.601 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.228 14.487 -18.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.510 14.682 -20.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.835 14.877 -18.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.624 13.417 -19.707 1.00 0.00 H new ATOM 352 N ASP A 26 -4.056 10.454 -14.849 1.00 0.00 N ATOM 353 CA ASP A 26 -4.383 9.113 -15.322 1.00 0.00 C ATOM 354 C ASP A 26 -4.844 8.228 -14.168 1.00 0.00 C ATOM 355 O ASP A 26 -4.552 7.033 -14.135 1.00 0.00 O ATOM 356 CB ASP A 26 -3.173 8.484 -16.012 1.00 0.00 C ATOM 357 CG ASP A 26 -1.918 8.561 -15.165 1.00 0.00 C ATOM 358 OD1 ASP A 26 -1.937 8.046 -14.027 1.00 0.00 O ATOM 359 OD2 ASP A 26 -0.916 9.134 -15.641 1.00 0.00 O ATOM 0 H ASP A 26 -3.150 10.529 -14.386 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.198 9.196 -16.041 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.390 7.441 -16.240 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.998 8.988 -16.962 1.00 0.00 H new ATOM 364 N GLY A 27 -5.566 8.822 -13.223 1.00 0.00 N ATOM 365 CA GLY A 27 -6.054 8.073 -12.081 1.00 0.00 C ATOM 366 C GLY A 27 -4.936 7.618 -11.164 1.00 0.00 C ATOM 367 O GLY A 27 -3.883 8.254 -11.095 1.00 0.00 O ATOM 0 H GLY A 27 -5.822 9.809 -13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.753 8.691 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.609 7.203 -12.432 1.00 0.00 H new ATOM 371 N PHE A 28 -5.163 6.516 -10.458 1.00 0.00 N ATOM 372 CA PHE A 28 -4.166 5.978 -9.539 1.00 0.00 C ATOM 373 C PHE A 28 -2.816 5.821 -10.232 1.00 0.00 C ATOM 374 O PHE A 28 -2.503 4.761 -10.773 1.00 0.00 O ATOM 375 CB PHE A 28 -4.628 4.629 -8.985 1.00 0.00 C ATOM 376 CG PHE A 28 -6.034 4.647 -8.456 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.475 5.692 -7.659 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.915 3.621 -8.757 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.767 5.711 -7.171 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.209 3.635 -8.271 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.636 4.682 -7.478 1.00 0.00 C ATOM 0 H PHE A 28 -6.028 5.978 -10.504 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.051 6.681 -8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.554 3.878 -9.771 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.952 4.322 -8.187 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.801 6.500 -7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.587 2.801 -9.378 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.098 6.530 -6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.885 2.828 -8.511 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.647 4.696 -7.099 1.00 0.00 H new ATOM 391 N GLY A 29 -2.019 6.885 -10.211 1.00 0.00 N ATOM 392 CA GLY A 29 -0.712 6.845 -10.841 1.00 0.00 C ATOM 393 C GLY A 29 0.058 5.585 -10.499 1.00 0.00 C ATOM 394 O GLY A 29 0.899 5.133 -11.277 1.00 0.00 O ATOM 0 H GLY A 29 -2.255 7.774 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.831 6.912 -11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.135 7.716 -10.529 1.00 0.00 H new ATOM 398 N PHE A 30 -0.228 5.016 -9.333 1.00 0.00 N ATOM 399 CA PHE A 30 0.446 3.801 -8.889 1.00 0.00 C ATOM 400 C PHE A 30 -0.320 2.560 -9.336 1.00 0.00 C ATOM 401 O PHE A 30 -1.544 2.587 -9.475 1.00 0.00 O ATOM 402 CB PHE A 30 0.594 3.802 -7.366 1.00 0.00 C ATOM 403 CG PHE A 30 -0.553 3.145 -6.652 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.859 3.530 -6.909 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.325 2.142 -5.724 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.915 2.928 -6.253 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.378 1.535 -5.065 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.675 1.928 -5.331 1.00 0.00 C ATOM 0 H PHE A 30 -0.922 5.377 -8.678 1.00 0.00 H new ATOM 0 HA PHE A 30 1.437 3.778 -9.343 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.519 3.291 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.686 4.831 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.054 4.310 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.687 1.831 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.928 3.239 -6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.187 0.755 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.500 1.454 -4.819 1.00 0.00 H new ATOM 418 N THR A 31 0.409 1.471 -9.561 1.00 0.00 N ATOM 419 CA THR A 31 -0.200 0.220 -9.994 1.00 0.00 C ATOM 420 C THR A 31 0.200 -0.932 -9.079 1.00 0.00 C ATOM 421 O THR A 31 1.321 -0.972 -8.571 1.00 0.00 O ATOM 422 CB THR A 31 0.197 -0.127 -11.441 1.00 0.00 C ATOM 423 OG1 THR A 31 0.178 1.054 -12.251 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.748 -1.165 -12.028 1.00 0.00 C ATOM 0 H THR A 31 1.422 1.431 -9.450 1.00 0.00 H new ATOM 0 HA THR A 31 -1.280 0.361 -9.945 1.00 0.00 H new ATOM 0 HB THR A 31 1.205 -0.542 -11.428 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.433 0.825 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.447 -1.394 -13.050 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.710 -2.073 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.765 -0.773 -12.028 1.00 0.00 H new ATOM 432 N ILE A 32 -0.721 -1.867 -8.875 1.00 0.00 N ATOM 433 CA ILE A 32 -0.462 -3.021 -8.023 1.00 0.00 C ATOM 434 C ILE A 32 -1.059 -4.291 -8.620 1.00 0.00 C ATOM 435 O ILE A 32 -2.232 -4.321 -8.994 1.00 0.00 O ATOM 436 CB ILE A 32 -1.034 -2.815 -6.607 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.563 -2.787 -6.650 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.492 -1.530 -5.999 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.198 -4.144 -6.440 1.00 0.00 C ATOM 0 H ILE A 32 -1.653 -1.848 -9.288 1.00 0.00 H new ATOM 0 HA ILE A 32 0.621 -3.128 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.722 -3.650 -5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.928 -2.102 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.884 -2.390 -7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.905 -1.398 -4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.595 -1.586 -5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.777 -0.683 -6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.283 -4.049 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.863 -4.827 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.907 -4.535 -5.465 1.00 0.00 H new ATOM 451 N CYS A 33 -0.245 -5.337 -8.705 1.00 0.00 N ATOM 452 CA CYS A 33 -0.693 -6.611 -9.256 1.00 0.00 C ATOM 453 C CYS A 33 0.108 -7.769 -8.670 1.00 0.00 C ATOM 454 O CYS A 33 1.334 -7.807 -8.780 1.00 0.00 O ATOM 455 CB CYS A 33 -0.563 -6.606 -10.780 1.00 0.00 C ATOM 456 SG CYS A 33 -1.238 -8.078 -11.584 1.00 0.00 S ATOM 0 H CYS A 33 0.728 -5.328 -8.400 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.741 -6.745 -8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.070 -5.725 -11.174 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.490 -6.512 -11.044 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.083 -7.979 -12.871 1.00 0.00 H new ATOM 462 N CYS A 34 -0.592 -8.710 -8.045 1.00 0.00 N ATOM 463 CA CYS A 34 0.055 -9.868 -7.439 1.00 0.00 C ATOM 464 C CYS A 34 -0.981 -10.839 -6.881 1.00 0.00 C ATOM 465 O CYS A 34 -2.185 -10.633 -7.035 1.00 0.00 O ATOM 466 CB CYS A 34 1.005 -9.423 -6.326 1.00 0.00 C ATOM 467 SG CYS A 34 2.726 -9.249 -6.851 1.00 0.00 S ATOM 0 H CYS A 34 -1.607 -8.693 -7.945 1.00 0.00 H new ATOM 0 HA CYS A 34 0.627 -10.380 -8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.660 -8.469 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.956 -10.145 -5.511 1.00 0.00 H new ATOM 0 HG CYS A 34 2.776 -8.566 -7.956 1.00 0.00 H new ATOM 473 N ASP A 35 -0.505 -11.897 -6.235 1.00 0.00 N ATOM 474 CA ASP A 35 -1.390 -12.901 -5.655 1.00 0.00 C ATOM 475 C ASP A 35 -1.298 -12.890 -4.132 1.00 0.00 C ATOM 476 O ASP A 35 -0.208 -12.955 -3.565 1.00 0.00 O ATOM 477 CB ASP A 35 -1.040 -14.290 -6.190 1.00 0.00 C ATOM 478 CG ASP A 35 -0.457 -14.242 -7.589 1.00 0.00 C ATOM 479 OD1 ASP A 35 -1.163 -13.781 -8.509 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.705 -14.666 -7.763 1.00 0.00 O ATOM 0 H ASP A 35 0.489 -12.082 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.413 -12.658 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.326 -14.766 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.936 -14.911 -6.194 1.00 0.00 H new ATOM 485 N SER A 36 -2.451 -12.807 -3.476 1.00 0.00 N ATOM 486 CA SER A 36 -2.501 -12.784 -2.018 1.00 0.00 C ATOM 487 C SER A 36 -1.342 -13.577 -1.422 1.00 0.00 C ATOM 488 O SER A 36 -1.191 -14.776 -1.657 1.00 0.00 O ATOM 489 CB SER A 36 -3.832 -13.353 -1.523 1.00 0.00 C ATOM 490 OG SER A 36 -4.178 -14.531 -2.232 1.00 0.00 O ATOM 0 H SER A 36 -3.363 -12.755 -3.930 1.00 0.00 H new ATOM 0 HA SER A 36 -2.414 -11.747 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.763 -13.573 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.618 -12.607 -1.645 1.00 0.00 H new ATOM 0 HG SER A 36 -3.376 -15.076 -2.372 1.00 0.00 H new ATOM 496 N PRO A 37 -0.503 -12.892 -0.631 1.00 0.00 N ATOM 497 CA PRO A 37 -0.672 -11.464 -0.345 1.00 0.00 C ATOM 498 C PRO A 37 -0.392 -10.591 -1.563 1.00 0.00 C ATOM 499 O PRO A 37 0.412 -10.949 -2.424 1.00 0.00 O ATOM 500 CB PRO A 37 0.360 -11.197 0.753 1.00 0.00 C ATOM 501 CG PRO A 37 1.402 -12.244 0.556 1.00 0.00 C ATOM 502 CD PRO A 37 0.677 -13.458 0.044 1.00 0.00 C ATOM 0 HA PRO A 37 -1.695 -11.226 -0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.783 -10.196 0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.089 -11.267 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.159 -11.913 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.917 -12.463 1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.295 -14.035 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.393 -14.128 0.855 1.00 0.00 H new ATOM 510 N VAL A 38 -1.060 -9.444 -1.630 1.00 0.00 N ATOM 511 CA VAL A 38 -0.882 -8.519 -2.743 1.00 0.00 C ATOM 512 C VAL A 38 0.313 -7.601 -2.509 1.00 0.00 C ATOM 513 O VAL A 38 0.726 -7.383 -1.370 1.00 0.00 O ATOM 514 CB VAL A 38 -2.140 -7.659 -2.966 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.958 -6.748 -4.170 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.366 -8.543 -3.136 1.00 0.00 C ATOM 0 H VAL A 38 -1.730 -9.133 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.703 -9.124 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.291 -7.033 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.857 -6.148 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.105 -6.090 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.781 -7.352 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.246 -7.919 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.227 -9.196 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.505 -9.148 -2.240 1.00 0.00 H new ATOM 526 N ARG A 39 0.863 -7.066 -3.594 1.00 0.00 N ATOM 527 CA ARG A 39 2.011 -6.172 -3.506 1.00 0.00 C ATOM 528 C ARG A 39 1.902 -5.046 -4.531 1.00 0.00 C ATOM 529 O ARG A 39 0.936 -4.975 -5.290 1.00 0.00 O ATOM 530 CB ARG A 39 3.309 -6.951 -3.725 1.00 0.00 C ATOM 531 CG ARG A 39 3.913 -7.501 -2.443 1.00 0.00 C ATOM 532 CD ARG A 39 5.276 -8.127 -2.693 1.00 0.00 C ATOM 533 NE ARG A 39 5.703 -8.971 -1.581 1.00 0.00 N ATOM 534 CZ ARG A 39 6.691 -9.855 -1.666 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.351 -10.008 -2.805 1.00 0.00 N ATOM 536 NH2 ARG A 39 7.021 -10.587 -0.609 1.00 0.00 N ATOM 0 H ARG A 39 0.532 -7.236 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 39 2.023 -5.733 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.116 -7.777 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.037 -6.300 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.009 -6.699 -1.711 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.243 -8.246 -2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.240 -8.721 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.012 -7.340 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 39 5.216 -8.877 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.101 -9.446 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.109 -10.687 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.516 -10.471 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.780 -11.265 -0.675 1.00 0.00 H new ATOM 550 N VAL A 40 2.900 -4.167 -4.545 1.00 0.00 N ATOM 551 CA VAL A 40 2.917 -3.045 -5.475 1.00 0.00 C ATOM 552 C VAL A 40 3.779 -3.355 -6.694 1.00 0.00 C ATOM 553 O VAL A 40 4.868 -3.915 -6.570 1.00 0.00 O ATOM 554 CB VAL A 40 3.443 -1.765 -4.801 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.478 -0.613 -5.794 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.590 -1.411 -3.592 1.00 0.00 C ATOM 0 H VAL A 40 3.707 -4.211 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 40 1.887 -2.882 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 40 4.461 -1.948 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.853 0.283 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.134 -0.869 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.472 -0.426 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.976 -0.504 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.560 -1.247 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.622 -2.229 -2.872 1.00 0.00 H new ATOM 566 N GLN A 41 3.283 -2.987 -7.871 1.00 0.00 N ATOM 567 CA GLN A 41 4.008 -3.227 -9.113 1.00 0.00 C ATOM 568 C GLN A 41 4.976 -2.085 -9.408 1.00 0.00 C ATOM 569 O GLN A 41 6.167 -2.307 -9.623 1.00 0.00 O ATOM 570 CB GLN A 41 3.029 -3.394 -10.276 1.00 0.00 C ATOM 571 CG GLN A 41 3.708 -3.502 -11.632 1.00 0.00 C ATOM 572 CD GLN A 41 2.854 -4.222 -12.657 1.00 0.00 C ATOM 573 OE1 GLN A 41 2.542 -3.677 -13.716 1.00 0.00 O ATOM 574 NE2 GLN A 41 2.470 -5.455 -12.346 1.00 0.00 N ATOM 0 H GLN A 41 2.383 -2.522 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 41 4.583 -4.146 -8.996 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.427 -4.287 -10.108 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.344 -2.546 -10.288 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.942 -2.502 -11.998 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.655 -4.030 -11.519 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.752 -5.868 -11.457 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.893 -5.989 -12.996 1.00 0.00 H new ATOM 583 N ALA A 42 4.455 -0.862 -9.415 1.00 0.00 N ATOM 584 CA ALA A 42 5.273 0.315 -9.681 1.00 0.00 C ATOM 585 C ALA A 42 4.467 1.596 -9.501 1.00 0.00 C ATOM 586 O ALA A 42 3.238 1.584 -9.579 1.00 0.00 O ATOM 587 CB ALA A 42 5.853 0.247 -11.086 1.00 0.00 C ATOM 0 H ALA A 42 3.471 -0.661 -9.240 1.00 0.00 H new ATOM 0 HA ALA A 42 6.092 0.328 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.462 1.132 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.472 -0.645 -11.181 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.042 0.206 -11.813 1.00 0.00 H new ATOM 593 N VAL A 43 5.165 2.701 -9.259 1.00 0.00 N ATOM 594 CA VAL A 43 4.514 3.991 -9.067 1.00 0.00 C ATOM 595 C VAL A 43 4.852 4.951 -10.203 1.00 0.00 C ATOM 596 O VAL A 43 5.992 5.006 -10.664 1.00 0.00 O ATOM 597 CB VAL A 43 4.923 4.633 -7.728 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.203 5.958 -7.530 1.00 0.00 C ATOM 599 CG2 VAL A 43 4.638 3.684 -6.574 1.00 0.00 C ATOM 0 H VAL A 43 6.182 2.728 -9.191 1.00 0.00 H new ATOM 0 HA VAL A 43 3.440 3.806 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 43 5.995 4.829 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.504 6.397 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.462 6.638 -8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.126 5.790 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.933 4.153 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.573 3.455 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.204 2.763 -6.712 1.00 0.00 H new ATOM 609 N ASP A 44 3.854 5.706 -10.648 1.00 0.00 N ATOM 610 CA ASP A 44 4.045 6.666 -11.729 1.00 0.00 C ATOM 611 C ASP A 44 4.896 7.844 -11.265 1.00 0.00 C ATOM 612 O ASP A 44 4.648 8.424 -10.207 1.00 0.00 O ATOM 613 CB ASP A 44 2.693 7.167 -12.240 1.00 0.00 C ATOM 614 CG ASP A 44 2.836 8.261 -13.279 1.00 0.00 C ATOM 615 OD1 ASP A 44 2.987 7.929 -14.474 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.797 9.450 -12.898 1.00 0.00 O ATOM 0 H ASP A 44 2.904 5.672 -10.277 1.00 0.00 H new ATOM 0 HA ASP A 44 4.567 6.162 -12.542 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.138 6.333 -12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.107 7.541 -11.401 1.00 0.00 H new ATOM 621 N SER A 45 5.900 8.193 -12.063 1.00 0.00 N ATOM 622 CA SER A 45 6.791 9.299 -11.731 1.00 0.00 C ATOM 623 C SER A 45 6.054 10.632 -11.811 1.00 0.00 C ATOM 624 O SER A 45 5.601 11.042 -12.879 1.00 0.00 O ATOM 625 CB SER A 45 7.995 9.312 -12.675 1.00 0.00 C ATOM 626 OG SER A 45 7.593 9.564 -14.011 1.00 0.00 O ATOM 0 H SER A 45 6.117 7.726 -12.944 1.00 0.00 H new ATOM 0 HA SER A 45 7.141 9.157 -10.709 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.704 10.076 -12.355 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.513 8.354 -12.622 1.00 0.00 H new ATOM 0 HG SER A 45 6.808 10.151 -14.011 1.00 0.00 H new ATOM 632 N GLY A 46 5.938 11.306 -10.670 1.00 0.00 N ATOM 633 CA GLY A 46 5.256 12.586 -10.631 1.00 0.00 C ATOM 634 C GLY A 46 3.750 12.443 -10.725 1.00 0.00 C ATOM 635 O GLY A 46 3.083 13.240 -11.384 1.00 0.00 O ATOM 0 H GLY A 46 6.304 10.988 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.512 13.103 -9.706 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.611 13.209 -11.452 1.00 0.00 H new ATOM 639 N GLY A 47 3.211 11.423 -10.064 1.00 0.00 N ATOM 640 CA GLY A 47 1.778 11.195 -10.091 1.00 0.00 C ATOM 641 C GLY A 47 1.111 11.549 -8.776 1.00 0.00 C ATOM 642 O GLY A 47 1.732 12.102 -7.869 1.00 0.00 O ATOM 0 H GLY A 47 3.741 10.750 -9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.334 11.787 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.584 10.148 -10.323 1.00 0.00 H new ATOM 646 N PRO A 48 -0.187 11.229 -8.662 1.00 0.00 N ATOM 647 CA PRO A 48 -0.968 11.508 -7.453 1.00 0.00 C ATOM 648 C PRO A 48 -0.547 10.634 -6.276 1.00 0.00 C ATOM 649 O PRO A 48 -0.682 11.029 -5.119 1.00 0.00 O ATOM 650 CB PRO A 48 -2.403 11.182 -7.875 1.00 0.00 C ATOM 651 CG PRO A 48 -2.258 10.197 -8.983 1.00 0.00 C ATOM 652 CD PRO A 48 -0.991 10.568 -9.703 1.00 0.00 C ATOM 0 HA PRO A 48 -0.833 12.533 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.974 10.764 -7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.931 12.076 -8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.203 9.179 -8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.115 10.237 -9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.485 9.690 -10.104 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.187 11.234 -10.543 1.00 0.00 H new ATOM 660 N ALA A 49 -0.036 9.446 -6.581 1.00 0.00 N ATOM 661 CA ALA A 49 0.407 8.518 -5.548 1.00 0.00 C ATOM 662 C ALA A 49 1.806 8.872 -5.054 1.00 0.00 C ATOM 663 O ALA A 49 2.037 8.993 -3.852 1.00 0.00 O ATOM 664 CB ALA A 49 0.377 7.090 -6.073 1.00 0.00 C ATOM 0 H ALA A 49 0.081 9.104 -7.535 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.279 8.598 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.710 6.408 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.640 6.833 -6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.039 7.005 -6.935 1.00 0.00 H new ATOM 670 N GLU A 50 2.735 9.036 -5.991 1.00 0.00 N ATOM 671 CA GLU A 50 4.111 9.375 -5.649 1.00 0.00 C ATOM 672 C GLU A 50 4.161 10.605 -4.748 1.00 0.00 C ATOM 673 O GLU A 50 4.669 10.547 -3.628 1.00 0.00 O ATOM 674 CB GLU A 50 4.928 9.626 -6.919 1.00 0.00 C ATOM 675 CG GLU A 50 6.425 9.450 -6.724 1.00 0.00 C ATOM 676 CD GLU A 50 7.228 9.921 -7.920 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.248 11.143 -8.179 1.00 0.00 O ATOM 678 OE2 GLU A 50 7.838 9.068 -8.598 1.00 0.00 O ATOM 0 H GLU A 50 2.560 8.940 -6.991 1.00 0.00 H new ATOM 0 HA GLU A 50 4.542 8.533 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.589 8.945 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.733 10.638 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.740 10.003 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.642 8.398 -6.537 1.00 0.00 H new ATOM 685 N ARG A 51 3.631 11.718 -5.245 1.00 0.00 N ATOM 686 CA ARG A 51 3.616 12.962 -4.486 1.00 0.00 C ATOM 687 C ARG A 51 3.179 12.715 -3.045 1.00 0.00 C ATOM 688 O ARG A 51 3.804 13.205 -2.104 1.00 0.00 O ATOM 689 CB ARG A 51 2.680 13.976 -5.147 1.00 0.00 C ATOM 690 CG ARG A 51 3.257 14.610 -6.402 1.00 0.00 C ATOM 691 CD ARG A 51 2.684 15.998 -6.639 1.00 0.00 C ATOM 692 NE ARG A 51 3.280 16.995 -5.754 1.00 0.00 N ATOM 693 CZ ARG A 51 2.984 18.289 -5.800 1.00 0.00 C ATOM 694 NH1 ARG A 51 2.104 18.741 -6.683 1.00 0.00 N ATOM 695 NH2 ARG A 51 3.569 19.135 -4.961 1.00 0.00 N ATOM 0 H ARG A 51 3.206 11.783 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 51 4.629 13.364 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.742 13.481 -5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.444 14.761 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.342 14.673 -6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.044 13.976 -7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.852 16.287 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.605 15.976 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 51 3.961 16.680 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.652 18.094 -7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.879 19.735 -6.716 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.246 18.792 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.341 20.129 -4.997 1.00 0.00 H new ATOM 709 N ALA A 52 2.104 11.953 -2.880 1.00 0.00 N ATOM 710 CA ALA A 52 1.585 11.640 -1.554 1.00 0.00 C ATOM 711 C ALA A 52 2.653 10.980 -0.689 1.00 0.00 C ATOM 712 O ALA A 52 2.732 11.229 0.514 1.00 0.00 O ATOM 713 CB ALA A 52 0.362 10.740 -1.665 1.00 0.00 C ATOM 0 H ALA A 52 1.575 11.540 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 52 1.293 12.574 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.015 10.514 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.413 11.248 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.637 9.813 -2.167 1.00 0.00 H new ATOM 719 N GLY A 53 3.473 10.136 -1.309 1.00 0.00 N ATOM 720 CA GLY A 53 4.525 9.453 -0.579 1.00 0.00 C ATOM 721 C GLY A 53 4.371 7.946 -0.614 1.00 0.00 C ATOM 722 O GLY A 53 4.604 7.266 0.386 1.00 0.00 O ATOM 0 H GLY A 53 3.427 9.913 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.492 9.726 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.523 9.791 0.457 1.00 0.00 H new ATOM 726 N LEU A 54 3.974 7.421 -1.768 1.00 0.00 N ATOM 727 CA LEU A 54 3.787 5.983 -1.930 1.00 0.00 C ATOM 728 C LEU A 54 5.027 5.337 -2.540 1.00 0.00 C ATOM 729 O LEU A 54 5.571 5.828 -3.528 1.00 0.00 O ATOM 730 CB LEU A 54 2.568 5.703 -2.811 1.00 0.00 C ATOM 731 CG LEU A 54 2.048 4.265 -2.802 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.574 4.228 -3.174 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.863 3.398 -3.751 1.00 0.00 C ATOM 0 H LEU A 54 3.775 7.969 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 54 3.622 5.550 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.759 6.362 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.818 5.971 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 54 2.156 3.865 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.222 3.197 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.002 4.815 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.440 4.646 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.479 2.378 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.787 3.796 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.907 3.399 -3.438 1.00 0.00 H new ATOM 745 N GLN A 55 5.467 4.234 -1.944 1.00 0.00 N ATOM 746 CA GLN A 55 6.642 3.520 -2.430 1.00 0.00 C ATOM 747 C GLN A 55 6.271 2.120 -2.906 1.00 0.00 C ATOM 748 O GLN A 55 5.493 1.420 -2.258 1.00 0.00 O ATOM 749 CB GLN A 55 7.702 3.434 -1.330 1.00 0.00 C ATOM 750 CG GLN A 55 9.061 2.969 -1.831 1.00 0.00 C ATOM 751 CD GLN A 55 10.208 3.541 -1.021 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.228 3.241 0.272 1.00 0.00 O flip ATOM 753 NE2 GLN A 55 11.067 4.246 -1.552 1.00 0.00 N flip ATOM 0 H GLN A 55 5.028 3.815 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 55 7.049 4.074 -3.276 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.811 4.413 -0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.356 2.750 -0.556 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.104 1.880 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.178 3.259 -2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.013 4.451 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.833 4.624 -0.994 1.00 0.00 H new ATOM 762 N GLN A 56 6.832 1.718 -4.042 1.00 0.00 N ATOM 763 CA GLN A 56 6.558 0.401 -4.605 1.00 0.00 C ATOM 764 C GLN A 56 7.313 -0.684 -3.844 1.00 0.00 C ATOM 765 O GLN A 56 8.044 -0.397 -2.895 1.00 0.00 O ATOM 766 CB GLN A 56 6.944 0.366 -6.084 1.00 0.00 C ATOM 767 CG GLN A 56 8.445 0.369 -6.322 1.00 0.00 C ATOM 768 CD GLN A 56 8.837 -0.359 -7.593 1.00 0.00 C ATOM 769 OE1 GLN A 56 8.342 -1.451 -7.874 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.731 0.243 -8.369 1.00 0.00 N ATOM 0 H GLN A 56 7.479 2.285 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 56 5.489 0.208 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.514 -0.525 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.503 1.227 -6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.798 1.399 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.944 -0.097 -5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.115 1.148 -8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.033 -0.200 -9.237 1.00 0.00 H new ATOM 779 N LEU A 57 7.132 -1.930 -4.266 1.00 0.00 N ATOM 780 CA LEU A 57 7.796 -3.059 -3.624 1.00 0.00 C ATOM 781 C LEU A 57 7.339 -3.209 -2.177 1.00 0.00 C ATOM 782 O LEU A 57 8.134 -3.534 -1.294 1.00 0.00 O ATOM 783 CB LEU A 57 9.315 -2.879 -3.675 1.00 0.00 C ATOM 784 CG LEU A 57 9.934 -2.793 -5.071 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.282 -2.092 -5.014 1.00 0.00 C ATOM 786 CD2 LEU A 57 10.079 -4.182 -5.676 1.00 0.00 C ATOM 0 H LEU A 57 6.531 -2.184 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 57 7.525 -3.964 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.572 -1.971 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.778 -3.712 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 57 9.270 -2.208 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.708 -2.040 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.151 -1.083 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.955 -2.650 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.521 -4.102 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.722 -4.790 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.097 -4.650 -5.752 1.00 0.00 H new ATOM 798 N ASP A 58 6.053 -2.973 -1.941 1.00 0.00 N ATOM 799 CA ASP A 58 5.489 -3.085 -0.601 1.00 0.00 C ATOM 800 C ASP A 58 4.324 -4.071 -0.583 1.00 0.00 C ATOM 801 O ASP A 58 3.681 -4.309 -1.606 1.00 0.00 O ATOM 802 CB ASP A 58 5.022 -1.716 -0.105 1.00 0.00 C ATOM 803 CG ASP A 58 3.638 -1.357 -0.611 1.00 0.00 C ATOM 804 OD1 ASP A 58 2.683 -2.103 -0.307 1.00 0.00 O ATOM 805 OD2 ASP A 58 3.510 -0.331 -1.310 1.00 0.00 O ATOM 0 H ASP A 58 5.382 -2.703 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 58 6.268 -3.457 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.020 -1.709 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.732 -0.955 -0.427 1.00 0.00 H new ATOM 810 N THR A 59 4.058 -4.643 0.588 1.00 0.00 N ATOM 811 CA THR A 59 2.973 -5.604 0.739 1.00 0.00 C ATOM 812 C THR A 59 1.717 -4.934 1.284 1.00 0.00 C ATOM 813 O THR A 59 1.783 -4.132 2.216 1.00 0.00 O ATOM 814 CB THR A 59 3.373 -6.759 1.677 1.00 0.00 C ATOM 815 OG1 THR A 59 4.478 -7.481 1.121 1.00 0.00 O ATOM 816 CG2 THR A 59 2.203 -7.705 1.899 1.00 0.00 C ATOM 0 H THR A 59 4.579 -4.457 1.445 1.00 0.00 H new ATOM 0 HA THR A 59 2.766 -6.006 -0.253 1.00 0.00 H new ATOM 0 HB THR A 59 3.664 -6.334 2.638 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.727 -8.212 1.724 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.509 -8.512 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.374 -7.159 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.886 -8.123 0.943 1.00 0.00 H new ATOM 824 N VAL A 60 0.572 -5.268 0.698 1.00 0.00 N ATOM 825 CA VAL A 60 -0.701 -4.699 1.126 1.00 0.00 C ATOM 826 C VAL A 60 -1.192 -5.358 2.410 1.00 0.00 C ATOM 827 O VAL A 60 -1.041 -6.566 2.599 1.00 0.00 O ATOM 828 CB VAL A 60 -1.779 -4.854 0.037 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.068 -4.164 0.460 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.280 -4.301 -1.289 1.00 0.00 C ATOM 0 H VAL A 60 0.499 -5.930 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.529 -3.638 1.308 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.989 -5.916 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.818 -4.284 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.433 -4.610 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.877 -3.103 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.054 -4.419 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.041 -3.244 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.386 -4.844 -1.596 1.00 0.00 H new ATOM 840 N LEU A 61 -1.783 -4.558 3.291 1.00 0.00 N ATOM 841 CA LEU A 61 -2.298 -5.063 4.558 1.00 0.00 C ATOM 842 C LEU A 61 -3.823 -5.018 4.583 1.00 0.00 C ATOM 843 O LEU A 61 -4.480 -6.045 4.753 1.00 0.00 O ATOM 844 CB LEU A 61 -1.735 -4.246 5.722 1.00 0.00 C ATOM 845 CG LEU A 61 -0.297 -4.567 6.134 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.209 -3.549 7.144 1.00 0.00 C ATOM 847 CD2 LEU A 61 -0.207 -5.976 6.703 1.00 0.00 C ATOM 0 H LEU A 61 -1.917 -3.557 3.151 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.981 -6.101 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.789 -3.190 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.381 -4.392 6.588 1.00 0.00 H new ATOM 0 HG LEU A 61 0.335 -4.514 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.233 -3.794 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.182 -2.553 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.425 -3.569 8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.823 -6.187 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.852 -6.057 7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.527 -6.694 5.948 1.00 0.00 H new ATOM 859 N GLN A 62 -4.378 -3.823 4.409 1.00 0.00 N ATOM 860 CA GLN A 62 -5.825 -3.646 4.410 1.00 0.00 C ATOM 861 C GLN A 62 -6.224 -2.420 3.596 1.00 0.00 C ATOM 862 O GLN A 62 -5.567 -1.380 3.658 1.00 0.00 O ATOM 863 CB GLN A 62 -6.343 -3.513 5.843 1.00 0.00 C ATOM 864 CG GLN A 62 -6.021 -2.173 6.483 1.00 0.00 C ATOM 865 CD GLN A 62 -6.331 -2.146 7.967 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.463 -1.847 8.789 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.572 -2.458 8.319 1.00 0.00 N ATOM 0 H GLN A 62 -3.848 -2.964 4.266 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.274 -4.526 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.423 -3.657 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.914 -4.309 6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.966 -1.947 6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.590 -1.389 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.259 -2.699 7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.839 -2.456 9.304 1.00 0.00 H new ATOM 876 N LEU A 63 -7.304 -2.548 2.833 1.00 0.00 N ATOM 877 CA LEU A 63 -7.791 -1.449 2.006 1.00 0.00 C ATOM 878 C LEU A 63 -9.181 -1.006 2.452 1.00 0.00 C ATOM 879 O LEU A 63 -10.012 -1.828 2.835 1.00 0.00 O ATOM 880 CB LEU A 63 -7.825 -1.869 0.535 1.00 0.00 C ATOM 881 CG LEU A 63 -8.578 -0.934 -0.412 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.653 0.154 -0.936 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.186 -1.720 -1.565 1.00 0.00 C ATOM 0 H LEU A 63 -7.859 -3.401 2.770 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.107 -0.608 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.798 -1.963 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.276 -2.859 0.471 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.386 -0.459 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.207 0.810 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.265 0.736 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.824 -0.303 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.718 -1.039 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.394 -2.223 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.882 -2.462 -1.173 1.00 0.00 H new ATOM 895 N ASN A 64 -9.426 0.299 2.398 1.00 0.00 N ATOM 896 CA ASN A 64 -10.715 0.852 2.795 1.00 0.00 C ATOM 897 C ASN A 64 -11.145 0.308 4.154 1.00 0.00 C ATOM 898 O ASN A 64 -12.320 0.016 4.373 1.00 0.00 O ATOM 899 CB ASN A 64 -11.778 0.527 1.744 1.00 0.00 C ATOM 900 CG ASN A 64 -11.420 1.067 0.373 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.368 0.322 -0.606 1.00 0.00 O ATOM 902 ND2 ASN A 64 -11.170 2.369 0.297 1.00 0.00 N ATOM 0 H ASN A 64 -8.748 0.993 2.083 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.610 1.934 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.907 -0.554 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.735 0.945 2.058 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.923 2.789 -0.599 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.225 2.949 1.135 1.00 0.00 H new ATOM 909 N GLU A 65 -10.184 0.175 5.063 1.00 0.00 N ATOM 910 CA GLU A 65 -10.464 -0.335 6.400 1.00 0.00 C ATOM 911 C GLU A 65 -10.983 -1.768 6.339 1.00 0.00 C ATOM 912 O GLU A 65 -11.798 -2.180 7.165 1.00 0.00 O ATOM 913 CB GLU A 65 -11.485 0.560 7.107 1.00 0.00 C ATOM 914 CG GLU A 65 -10.979 1.967 7.375 1.00 0.00 C ATOM 915 CD GLU A 65 -11.909 2.760 8.272 1.00 0.00 C ATOM 916 OE1 GLU A 65 -12.288 2.239 9.341 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.257 3.902 7.906 1.00 0.00 O ATOM 0 H GLU A 65 -9.206 0.413 4.898 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.532 -0.329 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.388 0.617 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.767 0.098 8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.993 1.913 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.858 2.492 6.428 1.00 0.00 H new ATOM 924 N ARG A 66 -10.507 -2.522 5.354 1.00 0.00 N ATOM 925 CA ARG A 66 -10.924 -3.909 5.183 1.00 0.00 C ATOM 926 C ARG A 66 -9.717 -4.816 4.959 1.00 0.00 C ATOM 927 O ARG A 66 -8.751 -4.450 4.289 1.00 0.00 O ATOM 928 CB ARG A 66 -11.893 -4.031 4.005 1.00 0.00 C ATOM 929 CG ARG A 66 -13.187 -3.257 4.199 1.00 0.00 C ATOM 930 CD ARG A 66 -14.293 -3.790 3.302 1.00 0.00 C ATOM 931 NE ARG A 66 -15.511 -2.989 3.401 1.00 0.00 N ATOM 932 CZ ARG A 66 -16.688 -3.379 2.924 1.00 0.00 C ATOM 933 NH1 ARG A 66 -16.806 -4.554 2.320 1.00 0.00 N ATOM 934 NH2 ARG A 66 -17.750 -2.595 3.052 1.00 0.00 N ATOM 0 H ARG A 66 -9.832 -2.196 4.662 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.430 -4.225 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.399 -3.676 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.129 -5.083 3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.499 -3.322 5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.018 -2.202 3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.948 -3.800 2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.515 -4.822 3.574 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.455 -2.081 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.992 -5.161 2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.711 -4.851 1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.664 -1.691 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.653 -2.896 2.685 1.00 0.00 H new ATOM 948 N PRO A 67 -9.772 -6.027 5.532 1.00 0.00 N ATOM 949 CA PRO A 67 -8.693 -7.011 5.409 1.00 0.00 C ATOM 950 C PRO A 67 -8.582 -7.576 3.997 1.00 0.00 C ATOM 951 O PRO A 67 -9.508 -8.215 3.499 1.00 0.00 O ATOM 952 CB PRO A 67 -9.100 -8.109 6.394 1.00 0.00 C ATOM 953 CG PRO A 67 -10.581 -7.992 6.501 1.00 0.00 C ATOM 954 CD PRO A 67 -10.893 -6.530 6.344 1.00 0.00 C ATOM 0 HA PRO A 67 -7.717 -6.573 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.806 -9.094 6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.621 -7.969 7.363 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.076 -8.582 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.934 -8.365 7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.851 -6.375 5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.949 -6.025 7.308 1.00 0.00 H new ATOM 962 N VAL A 68 -7.442 -7.337 3.357 1.00 0.00 N ATOM 963 CA VAL A 68 -7.209 -7.824 2.002 1.00 0.00 C ATOM 964 C VAL A 68 -5.889 -8.580 1.909 1.00 0.00 C ATOM 965 O VAL A 68 -5.331 -8.744 0.825 1.00 0.00 O ATOM 966 CB VAL A 68 -7.198 -6.668 0.984 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.496 -5.878 1.059 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.999 -5.762 1.221 1.00 0.00 C ATOM 0 H VAL A 68 -6.665 -6.809 3.755 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.030 -8.501 1.764 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.114 -7.089 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.470 -5.066 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.336 -6.536 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.613 -5.465 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.007 -4.951 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.050 -5.347 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.080 -6.338 1.112 1.00 0.00 H new ATOM 978 N GLU A 69 -5.394 -9.039 3.055 1.00 0.00 N ATOM 979 CA GLU A 69 -4.138 -9.779 3.102 1.00 0.00 C ATOM 980 C GLU A 69 -4.239 -11.074 2.301 1.00 0.00 C ATOM 981 O GLU A 69 -3.242 -11.570 1.774 1.00 0.00 O ATOM 982 CB GLU A 69 -3.758 -10.091 4.551 1.00 0.00 C ATOM 983 CG GLU A 69 -3.039 -8.950 5.251 1.00 0.00 C ATOM 984 CD GLU A 69 -2.996 -9.124 6.757 1.00 0.00 C ATOM 985 OE1 GLU A 69 -3.966 -9.675 7.318 1.00 0.00 O ATOM 986 OE2 GLU A 69 -1.993 -8.709 7.374 1.00 0.00 O ATOM 0 H GLU A 69 -5.843 -8.912 3.962 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.362 -9.156 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.661 -10.337 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.121 -10.976 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.021 -8.878 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.537 -8.010 5.012 1.00 0.00 H new ATOM 993 N HIS A 70 -5.449 -11.616 2.214 1.00 0.00 N ATOM 994 CA HIS A 70 -5.681 -12.853 1.477 1.00 0.00 C ATOM 995 C HIS A 70 -6.435 -12.580 0.179 1.00 0.00 C ATOM 996 O HIS A 70 -7.138 -13.449 -0.337 1.00 0.00 O ATOM 997 CB HIS A 70 -6.466 -13.844 2.337 1.00 0.00 C ATOM 998 CG HIS A 70 -5.775 -14.205 3.616 1.00 0.00 C ATOM 999 ND1 HIS A 70 -4.444 -14.560 3.679 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -6.239 -14.262 4.887 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -4.119 -14.822 4.932 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -5.190 -14.648 5.686 1.00 0.00 N ATOM 0 H HIS A 70 -6.284 -11.218 2.644 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.712 -13.286 1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.442 -13.418 2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.643 -14.752 1.761 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.246 -14.045 5.212 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.143 -15.127 5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.231 -14.779 6.697 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.285 -11.368 -0.342 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.953 -10.980 -1.579 1.00 0.00 C ATOM 1013 C TRP A 71 -5.981 -11.005 -2.754 1.00 0.00 C ATOM 1014 O TRP A 71 -4.812 -10.643 -2.614 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.564 -9.585 -1.438 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.761 -9.550 -0.536 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.086 -10.458 0.431 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.792 -8.557 -0.519 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.257 -10.090 1.048 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.710 -8.926 0.484 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -10.029 -7.391 -1.251 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.844 -8.171 0.769 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.155 -6.642 -0.967 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -12.051 -7.034 0.037 1.00 0.00 C ATOM 0 H TRP A 71 -5.707 -10.637 0.073 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.748 -11.700 -1.773 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.807 -8.902 -1.053 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.850 -9.220 -2.424 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.507 -11.337 0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.715 -10.600 1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.344 -7.080 -2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.536 -8.472 1.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.348 -5.740 -1.528 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.922 -6.427 0.237 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.470 -11.435 -3.912 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.645 -11.507 -5.112 1.00 0.00 C ATOM 1037 C LYS A 72 -5.693 -10.193 -5.885 1.00 0.00 C ATOM 1038 O LYS A 72 -6.283 -9.213 -5.426 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.112 -12.656 -6.009 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.110 -14.007 -5.316 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.380 -15.136 -6.296 1.00 0.00 C ATOM 1042 CE LYS A 72 -7.871 -15.325 -6.532 1.00 0.00 C ATOM 1043 NZ LYS A 72 -8.156 -16.558 -7.317 1.00 0.00 N ATOM 0 H LYS A 72 -7.434 -11.739 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.615 -11.690 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.119 -12.441 -6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.467 -12.706 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.147 -14.167 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.867 -14.016 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.885 -14.923 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.951 -16.062 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.387 -15.378 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.268 -14.458 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.182 -16.651 -7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.685 -16.497 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.800 -17.388 -6.801 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.072 -10.179 -7.059 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.046 -8.984 -7.896 1.00 0.00 C ATOM 1059 C CYS A 73 -6.436 -8.668 -8.436 1.00 0.00 C ATOM 1060 O CYS A 73 -6.886 -7.523 -8.390 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.065 -9.170 -9.054 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.594 -10.387 -10.282 1.00 0.00 S ATOM 0 H CYS A 73 -4.580 -10.981 -7.453 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.717 -8.146 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.918 -8.210 -9.549 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.098 -9.472 -8.652 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.700 -10.472 -11.222 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.112 -9.691 -8.950 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.452 -9.522 -9.501 1.00 0.00 C ATOM 1070 C VAL A 74 -9.471 -9.266 -8.397 1.00 0.00 C ATOM 1071 O VAL A 74 -10.465 -8.571 -8.607 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.886 -10.760 -10.309 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.899 -11.997 -9.424 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -10.252 -10.531 -10.939 1.00 0.00 C ATOM 0 H VAL A 74 -6.754 -10.645 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.416 -8.658 -10.165 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.164 -10.923 -11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.208 -12.862 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.900 -12.169 -9.024 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.599 -11.849 -8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.544 -11.415 -11.506 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.987 -10.343 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.205 -9.671 -11.607 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.217 -9.831 -7.221 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.114 -9.662 -6.084 1.00 0.00 C ATOM 1086 C GLU A 75 -9.965 -8.272 -5.474 1.00 0.00 C ATOM 1087 O GLU A 75 -10.939 -7.675 -5.014 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.834 -10.729 -5.023 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.583 -12.030 -5.256 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.020 -11.970 -4.774 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.281 -11.277 -3.769 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -12.884 -12.616 -5.404 1.00 0.00 O ATOM 0 H GLU A 75 -8.398 -10.409 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.137 -9.774 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.764 -10.935 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.104 -10.335 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.570 -12.267 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.065 -12.840 -4.743 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.738 -7.761 -5.473 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.460 -6.441 -4.919 1.00 0.00 C ATOM 1101 C LEU A 76 -8.874 -5.343 -5.894 1.00 0.00 C ATOM 1102 O LEU A 76 -9.680 -4.475 -5.561 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.972 -6.309 -4.587 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.574 -5.082 -3.765 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.619 -4.793 -2.699 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.206 -5.286 -3.132 1.00 0.00 C ATOM 0 H LEU A 76 -7.921 -8.241 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.042 -6.328 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.661 -7.202 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.412 -6.293 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.519 -4.222 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.319 -3.917 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.581 -4.603 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.707 -5.652 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.939 -4.403 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.234 -6.157 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.463 -5.444 -3.914 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.319 -5.390 -7.101 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.634 -4.402 -8.126 1.00 0.00 C ATOM 1120 C ALA A 77 -10.084 -3.943 -8.018 1.00 0.00 C ATOM 1121 O ALA A 77 -10.376 -2.750 -8.107 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.360 -4.972 -9.509 1.00 0.00 C ATOM 0 H ALA A 77 -7.649 -6.102 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.993 -3.534 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.599 -4.224 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.308 -5.244 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.976 -5.857 -9.666 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.990 -4.897 -7.827 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.410 -4.590 -7.707 1.00 0.00 C ATOM 1130 C HIS A 78 -12.641 -3.470 -6.698 1.00 0.00 C ATOM 1131 O HIS A 78 -13.341 -2.499 -6.984 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.190 -5.837 -7.290 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.569 -5.541 -6.787 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.566 -5.019 -7.585 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.117 -5.697 -5.559 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.665 -4.866 -6.870 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.420 -5.271 -5.637 1.00 0.00 N ATOM 0 H HIS A 78 -10.765 -5.889 -7.752 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.767 -4.256 -8.681 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -13.260 -6.513 -8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.633 -6.361 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -14.621 -6.085 -4.681 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.605 -4.476 -7.232 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.090 -5.268 -4.868 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.048 -3.613 -5.516 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.191 -2.613 -4.465 1.00 0.00 C ATOM 1148 C GLU A 79 -11.502 -1.309 -4.856 1.00 0.00 C ATOM 1149 O GLU A 79 -12.006 -0.221 -4.578 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.608 -3.137 -3.150 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.236 -2.513 -1.915 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.556 -3.160 -1.541 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -13.529 -4.240 -0.915 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.614 -2.587 -1.875 1.00 0.00 O ATOM 0 H GLU A 79 -11.465 -4.411 -5.263 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.254 -2.415 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.741 -4.218 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.535 -2.947 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.544 -2.598 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.394 -1.449 -2.091 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.346 -1.429 -5.501 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.588 -0.260 -5.931 1.00 0.00 C ATOM 1163 C ILE A 80 -10.400 0.598 -6.895 1.00 0.00 C ATOM 1164 O ILE A 80 -10.635 1.780 -6.642 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.267 -0.666 -6.611 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.369 -1.415 -5.624 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.554 0.562 -7.157 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.059 -1.872 -6.226 1.00 0.00 C ATOM 0 H ILE A 80 -9.914 -2.323 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.364 0.318 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.493 -1.332 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.162 -0.769 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.907 -2.283 -5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.622 0.259 -7.635 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.192 1.058 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.336 1.250 -6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.474 -2.395 -5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.257 -2.544 -7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.501 -1.006 -6.582 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.827 -0.005 -8.000 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.614 0.704 -9.002 1.00 0.00 C ATOM 1182 C ARG A 81 -12.979 1.095 -8.444 1.00 0.00 C ATOM 1183 O ARG A 81 -13.557 2.107 -8.841 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.789 -0.162 -10.250 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.489 -0.433 -10.991 1.00 0.00 C ATOM 1186 CD ARG A 81 -10.708 -1.355 -12.180 1.00 0.00 C ATOM 1187 NE ARG A 81 -11.109 -0.619 -13.376 1.00 0.00 N ATOM 1188 CZ ARG A 81 -10.247 -0.047 -14.210 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -8.944 -0.125 -13.979 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -10.689 0.606 -15.278 1.00 0.00 N ATOM 0 H ARG A 81 -10.641 -0.983 -8.224 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.078 1.614 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.238 -1.113 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.488 0.329 -10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.061 0.509 -11.334 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.767 -0.882 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.791 -1.907 -12.385 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.474 -2.090 -11.933 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.105 -0.540 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.600 -0.625 -13.159 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.285 0.315 -14.621 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.691 0.669 -15.459 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.027 1.045 -15.918 1.00 0.00 H new ATOM 1204 N SER A 82 -13.490 0.284 -7.523 1.00 0.00 N ATOM 1205 CA SER A 82 -14.790 0.542 -6.914 1.00 0.00 C ATOM 1206 C SER A 82 -14.957 2.025 -6.598 1.00 0.00 C ATOM 1207 O SER A 82 -16.015 2.607 -6.841 1.00 0.00 O ATOM 1208 CB SER A 82 -14.952 -0.285 -5.637 1.00 0.00 C ATOM 1209 OG SER A 82 -16.217 -0.059 -5.040 1.00 0.00 O ATOM 0 H SER A 82 -13.024 -0.557 -7.182 1.00 0.00 H new ATOM 0 HA SER A 82 -15.562 0.251 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.840 -1.344 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.162 -0.028 -4.931 1.00 0.00 H new ATOM 0 HG SER A 82 -16.296 -0.600 -4.227 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.907 2.629 -6.055 1.00 0.00 N ATOM 1216 CA CYS A 83 -13.936 4.045 -5.704 1.00 0.00 C ATOM 1217 C CYS A 83 -12.938 4.834 -6.545 1.00 0.00 C ATOM 1218 O CYS A 83 -11.737 4.848 -6.278 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.627 4.230 -4.217 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.056 4.009 -3.133 1.00 0.00 S ATOM 0 H CYS A 83 -13.025 2.161 -5.848 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.937 4.424 -5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.852 3.521 -3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.219 5.229 -4.063 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.694 4.183 -1.897 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.446 5.508 -7.588 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.616 6.311 -8.491 1.00 0.00 C ATOM 1228 C PRO A 84 -12.076 7.568 -7.817 1.00 0.00 C ATOM 1229 O PRO A 84 -10.876 7.841 -7.862 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.580 6.683 -9.621 1.00 0.00 C ATOM 1231 CG PRO A 84 -14.932 6.627 -9.000 1.00 0.00 C ATOM 1232 CD PRO A 84 -14.869 5.537 -7.966 1.00 0.00 C ATOM 0 HA PRO A 84 -11.733 5.766 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.365 7.677 -10.013 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.499 5.987 -10.456 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.192 7.582 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.696 6.412 -9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.508 5.757 -7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.197 4.580 -8.371 1.00 0.00 H new ATOM 1240 N SER A 85 -12.968 8.329 -7.192 1.00 0.00 N ATOM 1241 CA SER A 85 -12.581 9.559 -6.512 1.00 0.00 C ATOM 1242 C SER A 85 -11.256 9.379 -5.777 1.00 0.00 C ATOM 1243 O SER A 85 -10.217 9.865 -6.222 1.00 0.00 O ATOM 1244 CB SER A 85 -13.670 9.986 -5.526 1.00 0.00 C ATOM 1245 OG SER A 85 -14.113 8.888 -4.748 1.00 0.00 O ATOM 0 H SER A 85 -13.964 8.115 -7.142 1.00 0.00 H new ATOM 0 HA SER A 85 -12.457 10.338 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.286 10.768 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.512 10.412 -6.071 1.00 0.00 H new ATOM 0 HG SER A 85 -14.807 9.188 -4.125 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.303 8.678 -4.648 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.107 8.435 -3.851 1.00 0.00 C ATOM 1253 C GLU A 86 -10.081 7.000 -3.332 1.00 0.00 C ATOM 1254 O GLU A 86 -11.074 6.278 -3.425 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.042 9.414 -2.677 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.798 9.253 -1.818 1.00 0.00 C ATOM 1257 CD GLU A 86 -8.523 10.470 -0.956 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.152 10.594 0.115 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -7.677 11.298 -1.354 1.00 0.00 O ATOM 0 H GLU A 86 -12.156 8.269 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.238 8.588 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.078 10.433 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.925 9.278 -2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.913 8.378 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.938 9.066 -2.462 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.939 6.594 -2.788 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.784 5.246 -2.255 1.00 0.00 C ATOM 1268 C ILE A 87 -7.739 5.211 -1.145 1.00 0.00 C ATOM 1269 O ILE A 87 -6.723 5.903 -1.213 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.380 4.248 -3.356 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.101 4.715 -4.054 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.509 4.085 -4.363 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.253 3.580 -4.584 1.00 0.00 C ATOM 0 H ILE A 87 -8.108 7.179 -2.705 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.753 4.954 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.187 3.279 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.368 5.375 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.509 5.304 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.209 3.377 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.399 3.712 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.730 5.049 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.363 3.985 -5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.956 2.932 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.828 3.004 -5.309 1.00 0.00 H new ATOM 1285 N ILE A 88 -7.995 4.400 -0.124 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.075 4.272 0.999 1.00 0.00 C ATOM 1287 C ILE A 88 -6.531 2.852 1.105 1.00 0.00 C ATOM 1288 O ILE A 88 -7.287 1.898 1.294 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.755 4.650 2.329 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.310 6.074 2.257 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.772 4.516 3.482 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.399 6.350 3.269 1.00 0.00 C ATOM 0 H ILE A 88 -8.832 3.822 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.251 4.961 0.812 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.585 3.966 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.495 6.781 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.702 6.252 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.267 4.786 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.421 3.486 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.923 5.180 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.745 7.378 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.232 5.667 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.006 6.204 4.275 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.215 2.718 0.984 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.567 1.414 1.068 1.00 0.00 C ATOM 1306 C LEU A 89 -3.434 1.433 2.090 1.00 0.00 C ATOM 1307 O LEU A 89 -2.525 2.261 2.009 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.026 1.002 -0.302 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.119 2.016 -0.998 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.146 1.311 -1.930 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.949 3.037 -1.764 1.00 0.00 C ATOM 0 H LEU A 89 -4.575 3.497 0.827 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.311 0.687 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.473 0.070 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.872 0.792 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.544 2.542 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.509 2.049 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.528 0.620 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.703 0.758 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.287 3.751 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.551 2.526 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.605 3.566 -1.072 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.494 0.516 3.049 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.471 0.425 4.085 1.00 0.00 C ATOM 1325 C LEU A 90 -1.438 -0.643 3.740 1.00 0.00 C ATOM 1326 O LEU A 90 -1.788 -1.776 3.412 1.00 0.00 O ATOM 1327 CB LEU A 90 -3.114 0.111 5.437 1.00 0.00 C ATOM 1328 CG LEU A 90 -2.151 -0.216 6.579 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.658 1.060 7.243 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.821 -1.125 7.599 1.00 0.00 C ATOM 0 H LEU A 90 -4.240 -0.175 3.131 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.963 1.388 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.722 0.965 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.792 -0.733 5.307 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.291 -0.741 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.974 0.808 8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.139 1.675 6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.507 1.613 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.121 -1.347 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.699 -0.626 8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.124 -2.054 7.115 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.164 -0.273 3.818 1.00 0.00 N ATOM 1343 CA VAL A 91 0.921 -1.199 3.517 1.00 0.00 C ATOM 1344 C VAL A 91 2.016 -1.125 4.574 1.00 0.00 C ATOM 1345 O VAL A 91 2.013 -0.235 5.424 1.00 0.00 O ATOM 1346 CB VAL A 91 1.536 -0.913 2.134 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.511 -1.145 1.035 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.079 0.507 2.077 1.00 0.00 C ATOM 0 H VAL A 91 0.142 0.662 4.087 1.00 0.00 H new ATOM 0 HA VAL A 91 0.491 -2.200 3.514 1.00 0.00 H new ATOM 0 HB VAL A 91 2.365 -1.602 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.964 -0.938 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.174 -2.181 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.341 -0.482 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.510 0.693 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.269 1.214 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.848 0.634 2.839 1.00 0.00 H new ATOM 1358 N TRP A 92 2.953 -2.065 4.515 1.00 0.00 N ATOM 1359 CA TRP A 92 4.056 -2.106 5.467 1.00 0.00 C ATOM 1360 C TRP A 92 5.333 -1.551 4.846 1.00 0.00 C ATOM 1361 O TRP A 92 5.594 -1.750 3.659 1.00 0.00 O ATOM 1362 CB TRP A 92 4.289 -3.539 5.948 1.00 0.00 C ATOM 1363 CG TRP A 92 5.578 -3.714 6.692 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.811 -3.948 6.153 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.761 -3.671 8.112 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.749 -4.053 7.152 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.130 -3.885 8.363 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.901 -3.469 9.195 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.656 -3.905 9.651 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.425 -3.489 10.474 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.792 -3.705 10.693 1.00 0.00 C ATOM 0 H TRP A 92 2.970 -2.809 3.817 1.00 0.00 H new ATOM 0 HA TRP A 92 3.789 -1.483 6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.462 -3.837 6.593 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.280 -4.209 5.088 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.018 -4.037 5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.744 -4.228 7.014 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.846 -3.300 9.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.709 -4.072 9.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.770 -3.336 11.319 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.171 -3.714 11.704 1.00 0.00 H new ATOM 1382 N ARG A 93 6.125 -0.855 5.654 1.00 0.00 N ATOM 1383 CA ARG A 93 7.375 -0.270 5.182 1.00 0.00 C ATOM 1384 C ARG A 93 8.515 -0.569 6.152 1.00 0.00 C ATOM 1385 O ARG A 93 8.285 -0.865 7.324 1.00 0.00 O ATOM 1386 CB ARG A 93 7.221 1.242 5.008 1.00 0.00 C ATOM 1387 CG ARG A 93 8.122 1.825 3.932 1.00 0.00 C ATOM 1388 CD ARG A 93 7.534 1.622 2.544 1.00 0.00 C ATOM 1389 NE ARG A 93 6.412 2.520 2.288 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.504 2.311 1.341 1.00 0.00 C ATOM 1391 NH1 ARG A 93 5.585 1.238 0.566 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.511 3.174 1.169 1.00 0.00 N ATOM 0 H ARG A 93 5.924 -0.682 6.639 1.00 0.00 H new ATOM 0 HA ARG A 93 7.616 -0.717 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.183 1.467 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.438 1.733 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.267 2.890 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.104 1.356 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.308 1.787 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.203 0.589 2.438 1.00 0.00 H new ATOM 0 HE ARG A 93 6.320 3.354 2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.346 0.571 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.887 1.080 -0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.444 4.000 1.764 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.815 3.012 0.441 1.00 0.00 H new ATOM 1406 N VAL A 94 9.745 -0.489 5.653 1.00 0.00 N ATOM 1407 CA VAL A 94 10.921 -0.750 6.475 1.00 0.00 C ATOM 1408 C VAL A 94 11.902 0.416 6.415 1.00 0.00 C ATOM 1409 O VAL A 94 12.104 1.018 5.361 1.00 0.00 O ATOM 1410 CB VAL A 94 11.641 -2.036 6.030 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.910 -2.246 6.843 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.714 -3.236 6.155 1.00 0.00 C ATOM 0 H VAL A 94 9.953 -0.246 4.684 1.00 0.00 H new ATOM 0 HA VAL A 94 10.571 -0.874 7.500 1.00 0.00 H new ATOM 0 HB VAL A 94 11.922 -1.930 4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.406 -3.160 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.579 -1.398 6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.655 -2.331 7.899 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.239 -4.136 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.401 -3.347 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.837 -3.085 5.525 1.00 0.00 H new ATOM 1422 N SER A 95 12.510 0.729 7.555 1.00 0.00 N ATOM 1423 CA SER A 95 13.468 1.825 7.634 1.00 0.00 C ATOM 1424 C SER A 95 14.885 1.329 7.360 1.00 0.00 C ATOM 1425 O SER A 95 15.274 0.250 7.805 1.00 0.00 O ATOM 1426 CB SER A 95 13.405 2.487 9.012 1.00 0.00 C ATOM 1427 OG SER A 95 14.068 3.740 9.006 1.00 0.00 O ATOM 0 H SER A 95 12.356 0.239 8.436 1.00 0.00 H new ATOM 0 HA SER A 95 13.205 2.560 6.873 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.364 2.624 9.306 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.863 1.833 9.754 1.00 0.00 H new ATOM 0 HG SER A 95 14.012 4.144 9.897 1.00 0.00 H new ATOM 1433 N GLY A 96 15.652 2.126 6.623 1.00 0.00 N ATOM 1434 CA GLY A 96 17.017 1.752 6.301 1.00 0.00 C ATOM 1435 C GLY A 96 17.276 1.732 4.808 1.00 0.00 C ATOM 1436 O GLY A 96 16.595 1.044 4.047 1.00 0.00 O ATOM 0 H GLY A 96 15.353 3.024 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.704 2.452 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.228 0.767 6.716 1.00 0.00 H new ATOM 1440 N PRO A 97 18.281 2.503 4.367 1.00 0.00 N ATOM 1441 CA PRO A 97 18.651 2.588 2.951 1.00 0.00 C ATOM 1442 C PRO A 97 19.283 1.299 2.438 1.00 0.00 C ATOM 1443 O PRO A 97 19.960 0.590 3.182 1.00 0.00 O ATOM 1444 CB PRO A 97 19.667 3.733 2.918 1.00 0.00 C ATOM 1445 CG PRO A 97 20.244 3.766 4.291 1.00 0.00 C ATOM 1446 CD PRO A 97 19.135 3.349 5.217 1.00 0.00 C ATOM 0 HA PRO A 97 17.783 2.752 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 97 20.438 3.556 2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 97 19.189 4.680 2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 97 21.095 3.090 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 97 20.605 4.764 4.539 1.00 0.00 H new ATOM 0 HD2 PRO A 97 19.516 2.799 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.590 4.210 5.604 1.00 0.00 H new ATOM 1454 N SER A 98 19.059 1.003 1.161 1.00 0.00 N ATOM 1455 CA SER A 98 19.605 -0.203 0.550 1.00 0.00 C ATOM 1456 C SER A 98 20.781 0.135 -0.361 1.00 0.00 C ATOM 1457 O SER A 98 20.608 0.361 -1.559 1.00 0.00 O ATOM 1458 CB SER A 98 18.521 -0.931 -0.247 1.00 0.00 C ATOM 1459 OG SER A 98 19.016 -2.141 -0.795 1.00 0.00 O ATOM 0 H SER A 98 18.504 1.581 0.530 1.00 0.00 H new ATOM 0 HA SER A 98 19.961 -0.856 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.670 -1.143 0.400 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.160 -0.286 -1.048 1.00 0.00 H new ATOM 0 HG SER A 98 18.304 -2.588 -1.298 1.00 0.00 H new ATOM 1465 N SER A 99 21.978 0.166 0.216 1.00 0.00 N ATOM 1466 CA SER A 99 23.184 0.480 -0.542 1.00 0.00 C ATOM 1467 C SER A 99 23.446 -0.579 -1.609 1.00 0.00 C ATOM 1468 O SER A 99 22.952 -1.702 -1.520 1.00 0.00 O ATOM 1469 CB SER A 99 24.389 0.584 0.396 1.00 0.00 C ATOM 1470 OG SER A 99 24.641 -0.653 1.040 1.00 0.00 O ATOM 0 H SER A 99 22.139 -0.022 1.205 1.00 0.00 H new ATOM 0 HA SER A 99 23.033 1.440 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.269 0.889 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.207 1.356 1.143 1.00 0.00 H new ATOM 0 HG SER A 99 25.416 -0.561 1.632 1.00 0.00 H new ATOM 1476 N GLY A 100 24.228 -0.211 -2.619 1.00 0.00 N ATOM 1477 CA GLY A 100 24.543 -1.139 -3.690 1.00 0.00 C ATOM 1478 C GLY A 100 23.473 -1.171 -4.763 1.00 0.00 C ATOM 1479 O GLY A 100 22.439 -0.515 -4.637 1.00 0.00 O ATOM 0 H GLY A 100 24.649 0.713 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.496 -0.860 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 100 24.667 -2.139 -3.275 1.00 0.00 H new TER 1483 GLY A 100