USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1085 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 63 HIS :FLIP no HE2:sc= -1.51 F(o=-4.9,f=-3.8) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.0195 K(o=-3.8,f=-8.3!) USER MOD Set 1.3: A 68 SER OG : rot 100:sc= -2.29! USER MOD Single : A 1 ALA N :NH3+ 164:sc= 1.26 (180deg=0.539) USER MOD Single : A 2 THR OG1 : rot 50:sc= 1.29 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00639) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0135 K(o=-0.014,f=-1.2) USER MOD Single : A 19 ASN : amide:sc=-5.61e-05 X(o=-5.6e-05,f=-0.16) USER MOD Single : A 22 GLN : amide:sc= 0.0701 K(o=0.07,f=-7.4!) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc=-0.00104 (180deg=-0.0635) USER MOD Single : A 25 SER OG : rot -115:sc= 1.18 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0978) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 43 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-2!) USER MOD Single : A 46 HIS : no HD1:sc= -1.04 K(o=-1,f=-5.8!) USER MOD Single : A 48 HIS : no HE2:sc= 0.363 K(o=0.37,f=-4.1!) USER MOD Single : A 53 ASN : amide:sc= 0.471 K(o=0.47,f=-8.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0723 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -3.12 K(o=-3.1,f=-6.7!) USER MOD Single : A 86 ASN : amide:sc= 0.533 K(o=0.53,f=-7.4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 139:sc= 1.22 USER MOD Single : A 102 SER OG : rot 53:sc= 0.00307 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0188 USER MOD Single : A 107 SER OG : rot -5:sc= 0.192 USER MOD Single : A 110 HIS : no HE2:sc= 0.837 K(o=0.84,f=-3.3!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.132 USER MOD Single : A 116 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 120 HIS : no HD1:sc= -0.177 K(o=-0.18,f=-3.6!) USER MOD Single : A 122 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.21) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 134 SER OG : rot 165:sc= 1.02 USER MOD Single : A 135 THR OG1 : rot 150:sc= 0.0672 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 137 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 139 ASN : amide:sc= 0.00424 K(o=0.0042,f=-2.5!) USER MOD Single : A 142 SER OG : rot 180:sc= -0.671 USER MOD Single : A 153 GLN : amide:sc= -0.091 X(o=-0.091,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.256 -17.210 0.598 1.00 0.00 N ATOM 2 CA ALA A 1 6.775 -15.843 0.547 1.00 0.00 C ATOM 3 C ALA A 1 6.182 -15.526 -0.822 1.00 0.00 C ATOM 4 O ALA A 1 6.825 -14.888 -1.663 1.00 0.00 O ATOM 5 CB ALA A 1 7.880 -14.858 0.907 1.00 0.00 C ATOM 0 H1 ALA A 1 7.887 -17.326 1.417 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.448 -17.859 0.688 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.778 -17.427 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 1 5.983 -15.738 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.490 -13.841 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.236 -15.064 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.705 -14.963 0.202 1.00 0.00 H new ATOM 13 N THR A 2 5.001 -16.032 -1.056 1.00 0.00 N ATOM 14 CA THR A 2 4.295 -15.834 -2.294 1.00 0.00 C ATOM 15 C THR A 2 2.930 -15.166 -2.027 1.00 0.00 C ATOM 16 O THR A 2 2.342 -14.521 -2.888 1.00 0.00 O ATOM 17 CB THR A 2 4.150 -17.152 -3.120 1.00 0.00 C ATOM 18 OG1 THR A 2 3.692 -16.853 -4.446 1.00 0.00 O ATOM 19 CG2 THR A 2 3.185 -18.130 -2.465 1.00 0.00 C ATOM 0 H THR A 2 4.494 -16.603 -0.380 1.00 0.00 H new ATOM 0 HA THR A 2 4.891 -15.163 -2.912 1.00 0.00 H new ATOM 0 HB THR A 2 5.134 -17.620 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.247 -16.143 -4.831 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.114 -19.032 -3.072 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.549 -18.389 -1.471 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.200 -17.670 -2.382 1.00 0.00 H new ATOM 27 N LYS A 3 2.429 -15.354 -0.844 1.00 0.00 N ATOM 28 CA LYS A 3 1.169 -14.828 -0.470 1.00 0.00 C ATOM 29 C LYS A 3 1.277 -14.238 0.882 1.00 0.00 C ATOM 30 O LYS A 3 2.131 -14.627 1.665 1.00 0.00 O ATOM 31 CB LYS A 3 0.063 -15.890 -0.530 1.00 0.00 C ATOM 32 CG LYS A 3 -0.378 -16.240 -1.944 1.00 0.00 C ATOM 33 CD LYS A 3 -1.433 -17.314 -1.948 1.00 0.00 C ATOM 34 CE LYS A 3 -1.998 -17.546 -3.342 1.00 0.00 C ATOM 35 NZ LYS A 3 -0.985 -18.018 -4.322 1.00 0.00 N ATOM 0 H LYS A 3 2.896 -15.885 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 3 0.886 -14.053 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.414 -16.795 -0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.800 -15.534 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.765 -15.348 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.484 -16.574 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.007 -18.243 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.240 -17.034 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.803 -18.279 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.439 -16.618 -3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.443 -18.188 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.246 -17.295 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.556 -18.902 -3.980 1.00 0.00 H new ATOM 49 N ALA A 4 0.488 -13.264 1.116 1.00 0.00 N ATOM 50 CA ALA A 4 0.456 -12.598 2.361 1.00 0.00 C ATOM 51 C ALA A 4 -0.962 -12.279 2.666 1.00 0.00 C ATOM 52 O ALA A 4 -1.795 -12.304 1.769 1.00 0.00 O ATOM 53 CB ALA A 4 1.251 -11.331 2.270 1.00 0.00 C ATOM 0 H ALA A 4 -0.172 -12.896 0.431 1.00 0.00 H new ATOM 0 HA ALA A 4 0.883 -13.224 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.227 -10.816 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.283 -11.567 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.822 -10.687 1.502 1.00 0.00 H new ATOM 59 N VAL A 5 -1.255 -12.009 3.895 1.00 0.00 N ATOM 60 CA VAL A 5 -2.586 -11.668 4.281 1.00 0.00 C ATOM 61 C VAL A 5 -2.578 -10.385 5.089 1.00 0.00 C ATOM 62 O VAL A 5 -1.803 -10.227 6.034 1.00 0.00 O ATOM 63 CB VAL A 5 -3.330 -12.822 5.031 1.00 0.00 C ATOM 64 CG1 VAL A 5 -3.621 -13.992 4.100 1.00 0.00 C ATOM 65 CG2 VAL A 5 -2.534 -13.307 6.232 1.00 0.00 C ATOM 0 H VAL A 5 -0.580 -12.018 4.660 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.156 -11.507 3.366 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.277 -12.413 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.138 -14.776 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.249 -13.654 3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.684 -14.384 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.079 -14.109 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.565 -13.679 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.386 -12.481 6.928 1.00 0.00 H new ATOM 75 N ALA A 6 -3.391 -9.469 4.668 1.00 0.00 N ATOM 76 CA ALA A 6 -3.493 -8.165 5.278 1.00 0.00 C ATOM 77 C ALA A 6 -4.803 -8.006 6.069 1.00 0.00 C ATOM 78 O ALA A 6 -5.819 -8.569 5.688 1.00 0.00 O ATOM 79 CB ALA A 6 -3.405 -7.113 4.192 1.00 0.00 C ATOM 0 H ALA A 6 -4.019 -9.601 3.875 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.674 -8.045 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.481 -6.122 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.451 -7.205 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.220 -7.254 3.482 1.00 0.00 H new ATOM 85 N VAL A 7 -4.764 -7.231 7.179 1.00 0.00 N ATOM 86 CA VAL A 7 -5.949 -7.031 8.041 1.00 0.00 C ATOM 87 C VAL A 7 -6.106 -5.537 8.401 1.00 0.00 C ATOM 88 O VAL A 7 -5.339 -5.001 9.206 1.00 0.00 O ATOM 89 CB VAL A 7 -5.857 -7.868 9.361 1.00 0.00 C ATOM 90 CG1 VAL A 7 -7.128 -7.738 10.178 1.00 0.00 C ATOM 91 CG2 VAL A 7 -5.571 -9.334 9.073 1.00 0.00 C ATOM 0 H VAL A 7 -3.929 -6.738 7.496 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.817 -7.371 7.476 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.026 -7.465 9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.037 -8.329 11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.287 -6.692 10.439 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.974 -8.099 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.514 -9.885 10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.371 -9.747 8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.623 -9.422 8.542 1.00 0.00 H new ATOM 101 N LEU A 8 -7.060 -4.871 7.779 1.00 0.00 N ATOM 102 CA LEU A 8 -7.301 -3.433 8.035 1.00 0.00 C ATOM 103 C LEU A 8 -8.260 -3.176 9.195 1.00 0.00 C ATOM 104 O LEU A 8 -9.140 -3.994 9.481 1.00 0.00 O ATOM 105 CB LEU A 8 -7.835 -2.712 6.789 1.00 0.00 C ATOM 106 CG LEU A 8 -6.852 -2.415 5.655 1.00 0.00 C ATOM 107 CD1 LEU A 8 -5.671 -1.609 6.168 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.404 -3.683 4.928 1.00 0.00 C ATOM 0 H LEU A 8 -7.688 -5.287 7.091 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.324 -3.032 8.305 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.647 -3.312 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.269 -1.766 7.111 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.377 -1.811 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.983 -1.408 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.027 -0.666 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.154 -2.174 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.707 -3.419 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.912 -4.353 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.273 -4.183 4.499 1.00 0.00 H new ATOM 120 N LYS A 9 -8.088 -2.031 9.861 1.00 0.00 N ATOM 121 CA LYS A 9 -8.980 -1.612 10.927 1.00 0.00 C ATOM 122 C LYS A 9 -9.083 -0.116 10.813 1.00 0.00 C ATOM 123 O LYS A 9 -8.051 0.574 10.822 1.00 0.00 O ATOM 124 CB LYS A 9 -8.376 -2.008 12.298 1.00 0.00 C ATOM 125 CG LYS A 9 -9.338 -1.957 13.498 1.00 0.00 C ATOM 126 CD LYS A 9 -9.654 -0.549 13.987 1.00 0.00 C ATOM 127 CE LYS A 9 -10.667 -0.589 15.126 1.00 0.00 C ATOM 128 NZ LYS A 9 -10.898 0.743 15.730 1.00 0.00 N ATOM 0 H LYS A 9 -7.329 -1.377 9.672 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.960 -2.084 10.849 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.978 -3.020 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.533 -1.349 12.505 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.270 -2.452 13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.905 -2.526 14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.739 -0.062 14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.048 0.047 13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.612 -0.983 14.753 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.316 -1.277 15.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.594 0.660 16.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.003 1.111 16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.259 1.395 15.005 1.00 0.00 H new ATOM 142 N GLY A 10 -10.274 0.397 10.645 1.00 0.00 N ATOM 143 CA GLY A 10 -10.381 1.802 10.527 1.00 0.00 C ATOM 144 C GLY A 10 -11.710 2.389 10.882 1.00 0.00 C ATOM 145 O GLY A 10 -12.644 1.702 11.293 1.00 0.00 O ATOM 0 H GLY A 10 -11.148 -0.127 10.590 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.622 2.259 11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.146 2.080 9.500 1.00 0.00 H new ATOM 149 N ASP A 11 -11.748 3.684 10.720 1.00 0.00 N ATOM 150 CA ASP A 11 -12.940 4.471 10.789 1.00 0.00 C ATOM 151 C ASP A 11 -13.279 4.749 9.354 1.00 0.00 C ATOM 152 O ASP A 11 -12.538 5.453 8.644 1.00 0.00 O ATOM 153 CB ASP A 11 -12.715 5.766 11.577 1.00 0.00 C ATOM 154 CG ASP A 11 -12.293 5.498 13.004 1.00 0.00 C ATOM 155 OD1 ASP A 11 -13.118 5.002 13.806 1.00 0.00 O ATOM 156 OD2 ASP A 11 -11.113 5.719 13.345 1.00 0.00 O ATOM 0 H ASP A 11 -10.913 4.238 10.529 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.746 3.958 11.313 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.951 6.364 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -13.632 6.355 11.575 1.00 0.00 H new ATOM 161 N GLY A 12 -14.344 4.164 8.924 1.00 0.00 N ATOM 162 CA GLY A 12 -14.639 4.059 7.527 1.00 0.00 C ATOM 163 C GLY A 12 -14.122 2.707 7.121 1.00 0.00 C ATOM 164 O GLY A 12 -13.141 2.611 6.385 1.00 0.00 O ATOM 0 H GLY A 12 -15.044 3.740 9.533 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.710 4.144 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.154 4.854 6.960 1.00 0.00 H new ATOM 168 N PRO A 13 -14.782 1.629 7.610 1.00 0.00 N ATOM 169 CA PRO A 13 -14.240 0.277 7.570 1.00 0.00 C ATOM 170 C PRO A 13 -14.004 -0.270 6.190 1.00 0.00 C ATOM 171 O PRO A 13 -14.893 -0.275 5.319 1.00 0.00 O ATOM 172 CB PRO A 13 -15.275 -0.559 8.313 1.00 0.00 C ATOM 173 CG PRO A 13 -16.538 0.191 8.142 1.00 0.00 C ATOM 174 CD PRO A 13 -16.151 1.633 8.163 1.00 0.00 C ATOM 0 HA PRO A 13 -13.246 0.260 8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.349 -1.564 7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -15.017 -0.669 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.026 -0.071 7.203 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.242 -0.038 8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -16.826 2.239 7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.175 2.041 9.174 1.00 0.00 H new ATOM 182 N VAL A 14 -12.813 -0.734 6.012 1.00 0.00 N ATOM 183 CA VAL A 14 -12.387 -1.340 4.814 1.00 0.00 C ATOM 184 C VAL A 14 -12.061 -2.778 5.102 1.00 0.00 C ATOM 185 O VAL A 14 -11.280 -3.087 6.006 1.00 0.00 O ATOM 186 CB VAL A 14 -11.166 -0.605 4.164 1.00 0.00 C ATOM 187 CG1 VAL A 14 -11.585 0.740 3.630 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.028 -0.411 5.157 1.00 0.00 C ATOM 0 H VAL A 14 -12.089 -0.696 6.729 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.194 -1.273 4.085 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.811 -1.235 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.725 1.238 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.361 0.607 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.973 1.350 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.201 0.102 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.378 0.186 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.690 -1.383 5.517 1.00 0.00 H new ATOM 198 N GLN A 15 -12.698 -3.651 4.403 1.00 0.00 N ATOM 199 CA GLN A 15 -12.444 -5.048 4.559 1.00 0.00 C ATOM 200 C GLN A 15 -11.796 -5.511 3.313 1.00 0.00 C ATOM 201 O GLN A 15 -12.387 -5.427 2.242 1.00 0.00 O ATOM 202 CB GLN A 15 -13.729 -5.846 4.758 1.00 0.00 C ATOM 203 CG GLN A 15 -14.508 -5.541 6.018 1.00 0.00 C ATOM 204 CD GLN A 15 -15.703 -6.463 6.159 1.00 0.00 C ATOM 205 OE1 GLN A 15 -15.681 -7.606 5.690 1.00 0.00 O ATOM 206 NE2 GLN A 15 -16.738 -5.997 6.790 1.00 0.00 N ATOM 0 H GLN A 15 -13.409 -3.422 3.708 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.820 -5.200 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.379 -5.671 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.479 -6.907 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.858 -5.649 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.845 -4.505 5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.722 -5.048 7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.566 -6.580 6.911 1.00 0.00 H new ATOM 215 N GLY A 16 -10.616 -5.975 3.416 1.00 0.00 N ATOM 216 CA GLY A 16 -9.955 -6.415 2.284 1.00 0.00 C ATOM 217 C GLY A 16 -8.729 -7.100 2.649 1.00 0.00 C ATOM 218 O GLY A 16 -8.282 -7.002 3.794 1.00 0.00 O ATOM 0 H GLY A 16 -10.093 -6.056 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.599 -7.087 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.727 -5.569 1.636 1.00 0.00 H new ATOM 222 N ILE A 17 -8.176 -7.768 1.715 1.00 0.00 N ATOM 223 CA ILE A 17 -6.970 -8.470 1.898 1.00 0.00 C ATOM 224 C ILE A 17 -6.118 -8.160 0.730 1.00 0.00 C ATOM 225 O ILE A 17 -6.637 -7.981 -0.354 1.00 0.00 O ATOM 226 CB ILE A 17 -7.186 -10.028 2.117 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.181 -10.682 1.106 1.00 0.00 C ATOM 228 CG2 ILE A 17 -7.606 -10.330 3.544 1.00 0.00 C ATOM 229 CD1 ILE A 17 -7.662 -10.880 -0.306 1.00 0.00 C ATOM 0 H ILE A 17 -8.561 -7.844 0.774 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.480 -8.150 2.817 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.214 -10.482 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.483 -11.652 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.078 -10.064 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.746 -11.404 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.833 -9.987 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.541 -9.816 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.438 -11.341 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.390 -9.914 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.785 -11.527 -0.284 1.00 0.00 H new ATOM 241 N ILE A 18 -4.870 -7.957 0.950 1.00 0.00 N ATOM 242 CA ILE A 18 -3.966 -7.715 -0.124 1.00 0.00 C ATOM 243 C ILE A 18 -2.736 -8.524 0.134 1.00 0.00 C ATOM 244 O ILE A 18 -2.259 -8.596 1.270 1.00 0.00 O ATOM 245 CB ILE A 18 -3.648 -6.185 -0.314 1.00 0.00 C ATOM 246 CG1 ILE A 18 -2.625 -5.930 -1.441 1.00 0.00 C ATOM 247 CG2 ILE A 18 -3.200 -5.533 0.977 1.00 0.00 C ATOM 248 CD1 ILE A 18 -3.105 -6.328 -2.824 1.00 0.00 C ATOM 0 H ILE A 18 -4.443 -7.953 1.876 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.422 -8.020 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.586 -5.719 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.368 -4.871 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.710 -6.478 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.992 -4.478 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.988 -5.626 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.297 -6.025 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.325 -6.115 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.333 -7.394 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.002 -5.762 -3.075 1.00 0.00 H new ATOM 260 N ASN A 19 -2.275 -9.189 -0.866 1.00 0.00 N ATOM 261 CA ASN A 19 -1.140 -10.038 -0.709 1.00 0.00 C ATOM 262 C ASN A 19 0.109 -9.265 -1.051 1.00 0.00 C ATOM 263 O ASN A 19 0.037 -8.242 -1.725 1.00 0.00 O ATOM 264 CB ASN A 19 -1.198 -11.281 -1.629 1.00 0.00 C ATOM 265 CG ASN A 19 -2.512 -12.057 -1.653 1.00 0.00 C ATOM 266 OD1 ASN A 19 -3.317 -12.012 -0.734 1.00 0.00 O ATOM 267 ND2 ASN A 19 -2.684 -12.851 -2.676 1.00 0.00 N ATOM 0 H ASN A 19 -2.666 -9.163 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.134 -10.377 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.973 -10.962 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.405 -11.965 -1.327 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.506 -13.453 -2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.996 -12.869 -3.429 1.00 0.00 H new ATOM 274 N PHE A 20 1.250 -9.748 -0.597 1.00 0.00 N ATOM 275 CA PHE A 20 2.527 -9.151 -0.922 1.00 0.00 C ATOM 276 C PHE A 20 3.525 -10.281 -1.077 1.00 0.00 C ATOM 277 O PHE A 20 3.728 -11.048 -0.135 1.00 0.00 O ATOM 278 CB PHE A 20 3.040 -8.259 0.239 1.00 0.00 C ATOM 279 CG PHE A 20 2.062 -7.255 0.782 1.00 0.00 C ATOM 280 CD1 PHE A 20 1.858 -6.043 0.151 1.00 0.00 C ATOM 281 CD2 PHE A 20 1.347 -7.535 1.935 1.00 0.00 C ATOM 282 CE1 PHE A 20 0.957 -5.132 0.662 1.00 0.00 C ATOM 283 CE2 PHE A 20 0.449 -6.631 2.448 1.00 0.00 C ATOM 284 CZ PHE A 20 0.253 -5.430 1.813 1.00 0.00 C ATOM 0 H PHE A 20 1.315 -10.566 0.008 1.00 0.00 H new ATOM 0 HA PHE A 20 2.417 -8.547 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.356 -8.907 1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.926 -7.724 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.408 -5.807 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.498 -8.479 2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.802 -4.187 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.101 -6.864 3.348 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.452 -4.717 2.214 1.00 0.00 H new ATOM 294 N GLU A 21 4.101 -10.440 -2.234 1.00 0.00 N ATOM 295 CA GLU A 21 5.184 -11.389 -2.335 1.00 0.00 C ATOM 296 C GLU A 21 6.473 -10.803 -2.894 1.00 0.00 C ATOM 297 O GLU A 21 6.571 -10.547 -4.075 1.00 0.00 O ATOM 298 CB GLU A 21 4.793 -12.624 -3.147 1.00 0.00 C ATOM 299 CG GLU A 21 4.352 -12.384 -4.596 1.00 0.00 C ATOM 300 CD GLU A 21 4.205 -13.677 -5.366 1.00 0.00 C ATOM 301 OE1 GLU A 21 4.930 -14.646 -5.057 1.00 0.00 O ATOM 302 OE2 GLU A 21 3.396 -13.745 -6.308 1.00 0.00 O ATOM 0 H GLU A 21 3.855 -9.948 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 21 5.382 -11.681 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.643 -13.307 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.983 -13.132 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.402 -11.849 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.081 -11.746 -5.096 1.00 0.00 H new ATOM 309 N GLN A 22 7.414 -10.504 -2.010 1.00 0.00 N ATOM 310 CA GLN A 22 8.820 -10.253 -2.349 1.00 0.00 C ATOM 311 C GLN A 22 9.709 -10.560 -1.171 1.00 0.00 C ATOM 312 O GLN A 22 9.772 -9.779 -0.236 1.00 0.00 O ATOM 313 CB GLN A 22 9.137 -8.854 -2.870 1.00 0.00 C ATOM 314 CG GLN A 22 8.742 -8.573 -4.315 1.00 0.00 C ATOM 315 CD GLN A 22 9.395 -9.525 -5.314 1.00 0.00 C ATOM 316 OE1 GLN A 22 10.475 -9.274 -5.818 1.00 0.00 O ATOM 317 NE2 GLN A 22 8.733 -10.610 -5.614 1.00 0.00 N ATOM 0 H GLN A 22 7.223 -10.426 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 22 9.019 -10.926 -3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.637 -8.128 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.209 -8.684 -2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.658 -8.645 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.016 -7.549 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.830 -10.794 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.119 -11.273 -6.286 1.00 0.00 H new ATOM 326 N LYS A 23 10.352 -11.703 -1.193 1.00 0.00 N ATOM 327 CA LYS A 23 11.302 -12.080 -0.148 1.00 0.00 C ATOM 328 C LYS A 23 12.089 -13.277 -0.608 1.00 0.00 C ATOM 329 O LYS A 23 13.254 -13.164 -0.975 1.00 0.00 O ATOM 330 CB LYS A 23 10.603 -12.365 1.218 1.00 0.00 C ATOM 331 CG LYS A 23 11.555 -12.812 2.342 1.00 0.00 C ATOM 332 CD LYS A 23 10.832 -12.950 3.678 1.00 0.00 C ATOM 333 CE LYS A 23 11.763 -13.461 4.790 1.00 0.00 C ATOM 334 NZ LYS A 23 12.938 -12.573 5.021 1.00 0.00 N ATOM 0 H LYS A 23 10.239 -12.402 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 23 11.974 -11.238 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.080 -11.464 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.847 -13.137 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.010 -13.766 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.365 -12.089 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.419 -11.984 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.992 -13.635 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.196 -13.553 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.115 -14.460 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.473 -12.912 5.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.552 -12.585 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.610 -11.602 5.197 1.00 0.00 H new ATOM 348 N GLU A 24 11.435 -14.405 -0.619 1.00 0.00 N ATOM 349 CA GLU A 24 12.041 -15.644 -1.054 1.00 0.00 C ATOM 350 C GLU A 24 11.812 -15.812 -2.549 1.00 0.00 C ATOM 351 O GLU A 24 12.649 -16.349 -3.261 1.00 0.00 O ATOM 352 CB GLU A 24 11.406 -16.799 -0.303 1.00 0.00 C ATOM 353 CG GLU A 24 11.472 -16.665 1.202 1.00 0.00 C ATOM 354 CD GLU A 24 10.713 -17.754 1.890 1.00 0.00 C ATOM 355 OE1 GLU A 24 9.497 -17.584 2.120 1.00 0.00 O ATOM 356 OE2 GLU A 24 11.299 -18.802 2.211 1.00 0.00 O ATOM 0 H GLU A 24 10.462 -14.497 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 24 13.112 -15.628 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.362 -16.885 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.900 -17.725 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.513 -16.688 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.068 -15.697 1.499 1.00 0.00 H new ATOM 363 N SER A 25 10.670 -15.324 -2.994 1.00 0.00 N ATOM 364 CA SER A 25 10.244 -15.394 -4.366 1.00 0.00 C ATOM 365 C SER A 25 11.153 -14.577 -5.293 1.00 0.00 C ATOM 366 O SER A 25 11.906 -15.158 -6.086 1.00 0.00 O ATOM 367 CB SER A 25 8.806 -14.903 -4.410 1.00 0.00 C ATOM 368 OG SER A 25 8.647 -13.804 -3.491 1.00 0.00 O ATOM 0 H SER A 25 9.998 -14.855 -2.387 1.00 0.00 H new ATOM 0 HA SER A 25 10.309 -16.420 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.549 -14.586 -5.421 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.125 -15.713 -4.147 1.00 0.00 H new ATOM 0 HG SER A 25 8.029 -14.063 -2.775 1.00 0.00 H new ATOM 374 N ASN A 26 11.079 -13.242 -5.158 1.00 0.00 N ATOM 375 CA ASN A 26 11.878 -12.272 -5.948 1.00 0.00 C ATOM 376 C ASN A 26 11.473 -12.303 -7.421 1.00 0.00 C ATOM 377 O ASN A 26 11.774 -13.257 -8.149 1.00 0.00 O ATOM 378 CB ASN A 26 13.397 -12.504 -5.793 1.00 0.00 C ATOM 379 CG ASN A 26 14.238 -11.461 -6.516 1.00 0.00 C ATOM 380 OD1 ASN A 26 14.593 -11.623 -7.680 1.00 0.00 O ATOM 381 ND2 ASN A 26 14.582 -10.402 -5.829 1.00 0.00 N ATOM 0 H ASN A 26 10.454 -12.793 -4.488 1.00 0.00 H new ATOM 0 HA ASN A 26 11.661 -11.281 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.653 -12.498 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.648 -13.493 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.162 -9.681 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.271 -10.297 -4.863 1.00 0.00 H new ATOM 388 N GLY A 27 10.789 -11.276 -7.868 1.00 0.00 N ATOM 389 CA GLY A 27 10.328 -11.283 -9.235 1.00 0.00 C ATOM 390 C GLY A 27 8.901 -10.878 -9.345 1.00 0.00 C ATOM 391 O GLY A 27 8.449 -10.077 -8.541 1.00 0.00 O ATOM 0 H GLY A 27 10.545 -10.448 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.943 -10.607 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.455 -12.281 -9.655 1.00 0.00 H new ATOM 395 N PRO A 28 8.151 -11.431 -10.320 1.00 0.00 N ATOM 396 CA PRO A 28 6.756 -11.058 -10.545 1.00 0.00 C ATOM 397 C PRO A 28 5.933 -11.203 -9.285 1.00 0.00 C ATOM 398 O PRO A 28 5.844 -12.290 -8.692 1.00 0.00 O ATOM 399 CB PRO A 28 6.276 -12.048 -11.608 1.00 0.00 C ATOM 400 CG PRO A 28 7.518 -12.481 -12.300 1.00 0.00 C ATOM 401 CD PRO A 28 8.600 -12.469 -11.261 1.00 0.00 C ATOM 0 HA PRO A 28 6.655 -10.016 -10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.757 -12.894 -11.157 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.578 -11.579 -12.301 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.399 -13.477 -12.727 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.760 -11.808 -13.123 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.701 -13.439 -10.773 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.571 -12.228 -11.694 1.00 0.00 H new ATOM 409 N VAL A 29 5.321 -10.123 -8.906 1.00 0.00 N ATOM 410 CA VAL A 29 4.559 -10.062 -7.707 1.00 0.00 C ATOM 411 C VAL A 29 3.131 -10.319 -8.066 1.00 0.00 C ATOM 412 O VAL A 29 2.420 -9.422 -8.518 1.00 0.00 O ATOM 413 CB VAL A 29 4.712 -8.664 -7.032 1.00 0.00 C ATOM 414 CG1 VAL A 29 3.981 -8.589 -5.710 1.00 0.00 C ATOM 415 CG2 VAL A 29 6.163 -8.348 -6.823 1.00 0.00 C ATOM 0 H VAL A 29 5.340 -9.249 -9.432 1.00 0.00 H new ATOM 0 HA VAL A 29 4.911 -10.808 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 29 4.266 -7.930 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.115 -7.598 -5.276 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.919 -8.774 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.382 -9.340 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.258 -7.370 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.612 -9.106 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.675 -8.338 -7.785 1.00 0.00 H new ATOM 425 N LYS A 30 2.717 -11.540 -7.943 1.00 0.00 N ATOM 426 CA LYS A 30 1.390 -11.862 -8.297 1.00 0.00 C ATOM 427 C LYS A 30 0.566 -11.892 -7.083 1.00 0.00 C ATOM 428 O LYS A 30 0.461 -12.895 -6.381 1.00 0.00 O ATOM 429 CB LYS A 30 1.273 -13.128 -9.114 1.00 0.00 C ATOM 430 CG LYS A 30 1.945 -12.994 -10.466 1.00 0.00 C ATOM 431 CD LYS A 30 1.739 -14.212 -11.334 1.00 0.00 C ATOM 432 CE LYS A 30 2.400 -14.015 -12.688 1.00 0.00 C ATOM 433 NZ LYS A 30 2.170 -15.155 -13.595 1.00 0.00 N ATOM 0 H LYS A 30 3.281 -12.319 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 30 1.017 -11.083 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.722 -13.956 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.220 -13.373 -9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.553 -12.116 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.013 -12.829 -10.323 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.156 -15.091 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.673 -14.396 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.016 -13.104 -13.148 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.472 -13.875 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.640 -14.975 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.559 -16.021 -13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.149 -15.275 -13.750 1.00 0.00 H new ATOM 447 N VAL A 31 0.034 -10.767 -6.815 1.00 0.00 N ATOM 448 CA VAL A 31 -0.719 -10.511 -5.647 1.00 0.00 C ATOM 449 C VAL A 31 -2.060 -10.004 -6.018 1.00 0.00 C ATOM 450 O VAL A 31 -2.240 -9.393 -7.069 1.00 0.00 O ATOM 451 CB VAL A 31 -0.009 -9.510 -4.712 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.287 -10.107 -4.213 1.00 0.00 C ATOM 453 CG2 VAL A 31 0.253 -8.176 -5.413 1.00 0.00 C ATOM 0 H VAL A 31 0.113 -9.958 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.820 -11.449 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.665 -9.312 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.785 -9.396 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.077 -11.026 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.935 -10.330 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.754 -7.496 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.886 -8.341 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.694 -7.739 -5.730 1.00 0.00 H new ATOM 463 N TRP A 32 -2.979 -10.262 -5.185 1.00 0.00 N ATOM 464 CA TRP A 32 -4.338 -9.927 -5.441 1.00 0.00 C ATOM 465 C TRP A 32 -4.931 -9.315 -4.208 1.00 0.00 C ATOM 466 O TRP A 32 -4.504 -9.653 -3.093 1.00 0.00 O ATOM 467 CB TRP A 32 -5.128 -11.198 -5.842 1.00 0.00 C ATOM 468 CG TRP A 32 -4.596 -11.894 -7.074 1.00 0.00 C ATOM 469 CD1 TRP A 32 -4.889 -11.598 -8.372 1.00 0.00 C ATOM 470 CD2 TRP A 32 -3.672 -12.996 -7.117 1.00 0.00 C ATOM 471 NE1 TRP A 32 -4.226 -12.451 -9.214 1.00 0.00 N ATOM 472 CE2 TRP A 32 -3.465 -13.313 -8.470 1.00 0.00 C ATOM 473 CE3 TRP A 32 -3.000 -13.740 -6.142 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -2.619 -14.341 -8.877 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -2.161 -14.761 -6.546 1.00 0.00 C ATOM 476 CH2 TRP A 32 -1.976 -15.052 -7.903 1.00 0.00 C ATOM 0 H TRP A 32 -2.821 -10.719 -4.287 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.393 -9.212 -6.262 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.114 -11.899 -5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.170 -10.926 -6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.549 -10.805 -8.691 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.289 -12.445 -10.232 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.134 -13.521 -5.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.476 -14.568 -9.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.639 -15.345 -5.802 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.311 -15.855 -8.186 1.00 0.00 H new ATOM 487 N GLY A 33 -5.831 -8.369 -4.371 1.00 0.00 N ATOM 488 CA GLY A 33 -6.515 -7.890 -3.218 1.00 0.00 C ATOM 489 C GLY A 33 -7.691 -7.057 -3.558 1.00 0.00 C ATOM 490 O GLY A 33 -7.628 -6.222 -4.460 1.00 0.00 O ATOM 0 H GLY A 33 -6.090 -7.938 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.838 -8.738 -2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.826 -7.307 -2.607 1.00 0.00 H new ATOM 494 N SER A 34 -8.750 -7.277 -2.844 1.00 0.00 N ATOM 495 CA SER A 34 -9.955 -6.604 -3.035 1.00 0.00 C ATOM 496 C SER A 34 -10.284 -5.838 -1.773 1.00 0.00 C ATOM 497 O SER A 34 -10.090 -6.377 -0.678 1.00 0.00 O ATOM 498 CB SER A 34 -11.005 -7.616 -3.442 1.00 0.00 C ATOM 499 OG SER A 34 -11.002 -8.757 -2.578 1.00 0.00 O ATOM 0 H SER A 34 -8.779 -7.961 -2.088 1.00 0.00 H new ATOM 0 HA SER A 34 -9.902 -5.868 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.989 -7.147 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.824 -7.936 -4.468 1.00 0.00 H new ATOM 0 HG SER A 34 -11.693 -9.389 -2.868 1.00 0.00 H new ATOM 505 N ILE A 35 -10.764 -4.634 -1.891 1.00 0.00 N ATOM 506 CA ILE A 35 -11.087 -3.830 -0.726 1.00 0.00 C ATOM 507 C ILE A 35 -12.572 -3.499 -0.772 1.00 0.00 C ATOM 508 O ILE A 35 -13.094 -3.233 -1.835 1.00 0.00 O ATOM 509 CB ILE A 35 -10.263 -2.490 -0.710 1.00 0.00 C ATOM 510 CG1 ILE A 35 -8.736 -2.746 -0.805 1.00 0.00 C ATOM 511 CG2 ILE A 35 -10.586 -1.652 0.528 1.00 0.00 C ATOM 512 CD1 ILE A 35 -8.146 -3.564 0.334 1.00 0.00 C ATOM 0 H ILE A 35 -10.945 -4.176 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.836 -4.393 0.173 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.562 -1.928 -1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.527 -3.257 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.224 -1.785 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.000 -0.733 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.648 -1.405 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.341 -2.220 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.075 -3.688 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.316 -3.048 1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.624 -4.543 0.364 1.00 0.00 H new ATOM 524 N LYS A 36 -13.251 -3.615 0.342 1.00 0.00 N ATOM 525 CA LYS A 36 -14.626 -3.196 0.447 1.00 0.00 C ATOM 526 C LYS A 36 -14.657 -2.146 1.529 1.00 0.00 C ATOM 527 O LYS A 36 -14.534 -2.466 2.710 1.00 0.00 O ATOM 528 CB LYS A 36 -15.538 -4.367 0.872 1.00 0.00 C ATOM 529 CG LYS A 36 -15.417 -5.631 0.027 1.00 0.00 C ATOM 530 CD LYS A 36 -16.448 -6.667 0.459 1.00 0.00 C ATOM 531 CE LYS A 36 -16.271 -7.992 -0.268 1.00 0.00 C ATOM 532 NZ LYS A 36 -15.027 -8.683 0.128 1.00 0.00 N ATOM 0 H LYS A 36 -12.865 -4.003 1.203 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.984 -2.827 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.316 -4.621 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.574 -4.028 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.559 -5.386 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.414 -6.046 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.368 -6.831 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.450 -6.281 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.125 -8.636 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.260 -7.816 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.021 -9.643 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.207 -8.154 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.976 -8.740 1.165 1.00 0.00 H new ATOM 546 N GLY A 37 -14.790 -0.945 1.140 1.00 0.00 N ATOM 547 CA GLY A 37 -14.747 0.161 2.036 1.00 0.00 C ATOM 548 C GLY A 37 -16.052 0.841 2.173 1.00 0.00 C ATOM 549 O GLY A 37 -17.048 0.447 1.530 1.00 0.00 O ATOM 0 H GLY A 37 -14.936 -0.683 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.418 -0.184 3.016 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.005 0.878 1.685 1.00 0.00 H new ATOM 553 N LEU A 38 -16.101 1.815 3.077 1.00 0.00 N ATOM 554 CA LEU A 38 -17.272 2.639 3.195 1.00 0.00 C ATOM 555 C LEU A 38 -17.326 3.405 1.890 1.00 0.00 C ATOM 556 O LEU A 38 -16.289 3.900 1.413 1.00 0.00 O ATOM 557 CB LEU A 38 -17.146 3.598 4.387 1.00 0.00 C ATOM 558 CG LEU A 38 -18.346 4.523 4.648 1.00 0.00 C ATOM 559 CD1 LEU A 38 -19.604 3.714 4.937 1.00 0.00 C ATOM 560 CD2 LEU A 38 -18.047 5.473 5.797 1.00 0.00 C ATOM 0 H LEU A 38 -15.347 2.042 3.726 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.175 2.055 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.969 3.006 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.263 4.218 4.235 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.522 5.112 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.439 4.391 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.832 3.078 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.443 3.093 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.907 6.120 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.841 4.898 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.178 6.083 5.548 1.00 0.00 H new ATOM 572 N THR A 39 -18.497 3.513 1.347 1.00 0.00 N ATOM 573 CA THR A 39 -18.670 3.818 -0.026 1.00 0.00 C ATOM 574 C THR A 39 -18.266 5.244 -0.452 1.00 0.00 C ATOM 575 O THR A 39 -18.917 6.251 -0.139 1.00 0.00 O ATOM 576 CB THR A 39 -20.115 3.443 -0.379 1.00 0.00 C ATOM 577 OG1 THR A 39 -21.003 3.977 0.623 1.00 0.00 O ATOM 578 CG2 THR A 39 -20.259 1.926 -0.369 1.00 0.00 C ATOM 0 H THR A 39 -19.370 3.389 1.859 1.00 0.00 H new ATOM 0 HA THR A 39 -17.964 3.229 -0.612 1.00 0.00 H new ATOM 0 HB THR A 39 -20.359 3.845 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.928 3.741 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 39 -21.285 1.656 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.580 1.491 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.015 1.544 0.622 1.00 0.00 H new ATOM 586 N GLU A 40 -17.188 5.248 -1.166 1.00 0.00 N ATOM 587 CA GLU A 40 -16.480 6.344 -1.734 1.00 0.00 C ATOM 588 C GLU A 40 -15.460 5.654 -2.540 1.00 0.00 C ATOM 589 O GLU A 40 -15.311 4.437 -2.391 1.00 0.00 O ATOM 590 CB GLU A 40 -15.688 7.180 -0.707 1.00 0.00 C ATOM 591 CG GLU A 40 -16.457 8.030 0.273 1.00 0.00 C ATOM 592 CD GLU A 40 -15.521 8.912 1.046 1.00 0.00 C ATOM 593 OE1 GLU A 40 -15.012 8.503 2.105 1.00 0.00 O ATOM 594 OE2 GLU A 40 -15.239 10.032 0.589 1.00 0.00 O ATOM 0 H GLU A 40 -16.726 4.367 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 40 -17.169 7.022 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.063 6.496 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.017 7.837 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -17.186 8.641 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -17.015 7.392 0.958 1.00 0.00 H new ATOM 601 N GLY A 41 -14.776 6.326 -3.328 1.00 0.00 N ATOM 602 CA GLY A 41 -13.643 5.715 -3.885 1.00 0.00 C ATOM 603 C GLY A 41 -13.059 6.479 -4.967 1.00 0.00 C ATOM 604 O GLY A 41 -13.813 6.986 -5.816 1.00 0.00 O ATOM 0 H GLY A 41 -14.959 7.288 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.895 5.571 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.915 4.726 -4.253 1.00 0.00 H new ATOM 608 N LEU A 42 -11.715 6.587 -4.976 1.00 0.00 N ATOM 609 CA LEU A 42 -11.059 7.373 -5.968 1.00 0.00 C ATOM 610 C LEU A 42 -9.769 6.706 -6.444 1.00 0.00 C ATOM 611 O LEU A 42 -9.549 6.560 -7.639 1.00 0.00 O ATOM 612 CB LEU A 42 -10.764 8.777 -5.422 1.00 0.00 C ATOM 613 CG LEU A 42 -11.969 9.683 -5.130 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.515 10.972 -4.468 1.00 0.00 C ATOM 615 CD2 LEU A 42 -12.721 10.000 -6.415 1.00 0.00 C ATOM 0 H LEU A 42 -11.094 6.135 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.727 7.458 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.192 8.668 -4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.121 9.290 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.638 9.153 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.381 11.603 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.010 10.741 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.828 11.499 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.572 10.643 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.054 10.511 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.076 9.074 -6.867 1.00 0.00 H new ATOM 627 N HIS A 43 -8.915 6.300 -5.522 1.00 0.00 N ATOM 628 CA HIS A 43 -7.634 5.738 -5.896 1.00 0.00 C ATOM 629 C HIS A 43 -7.190 4.721 -4.848 1.00 0.00 C ATOM 630 O HIS A 43 -7.627 4.776 -3.696 1.00 0.00 O ATOM 631 CB HIS A 43 -6.610 6.900 -6.006 1.00 0.00 C ATOM 632 CG HIS A 43 -5.282 6.560 -6.623 1.00 0.00 C ATOM 633 ND1 HIS A 43 -5.066 6.608 -7.970 1.00 0.00 N ATOM 634 CD2 HIS A 43 -4.093 6.221 -6.070 1.00 0.00 C ATOM 635 CE1 HIS A 43 -3.811 6.315 -8.223 1.00 0.00 C ATOM 636 NE2 HIS A 43 -3.195 6.080 -7.094 1.00 0.00 N ATOM 0 H HIS A 43 -9.085 6.349 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.706 5.223 -6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.063 7.702 -6.589 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.432 7.295 -5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.891 6.087 -5.018 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.361 6.275 -9.204 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.211 5.833 -6.993 1.00 0.00 H new ATOM 645 N GLY A 44 -6.390 3.777 -5.266 1.00 0.00 N ATOM 646 CA GLY A 44 -5.819 2.814 -4.356 1.00 0.00 C ATOM 647 C GLY A 44 -4.477 3.227 -3.962 1.00 0.00 C ATOM 648 O GLY A 44 -3.574 3.204 -4.773 1.00 0.00 O ATOM 0 H GLY A 44 -6.115 3.652 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.451 2.717 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.781 1.833 -4.830 1.00 0.00 H new ATOM 652 N PHE A 45 -4.351 3.660 -2.756 1.00 0.00 N ATOM 653 CA PHE A 45 -3.070 4.117 -2.270 1.00 0.00 C ATOM 654 C PHE A 45 -2.602 3.345 -1.044 1.00 0.00 C ATOM 655 O PHE A 45 -2.477 3.910 0.038 1.00 0.00 O ATOM 656 CB PHE A 45 -3.298 5.552 -1.864 1.00 0.00 C ATOM 657 CG PHE A 45 -4.530 5.819 -0.924 1.00 0.00 C ATOM 658 CD1 PHE A 45 -4.448 5.697 0.472 1.00 0.00 C ATOM 659 CD2 PHE A 45 -5.705 6.246 -1.436 1.00 0.00 C ATOM 660 CE1 PHE A 45 -5.498 5.982 1.292 1.00 0.00 C ATOM 661 CE2 PHE A 45 -6.755 6.545 -0.606 1.00 0.00 C ATOM 662 CZ PHE A 45 -6.654 6.412 0.755 1.00 0.00 C ATOM 0 H PHE A 45 -5.112 3.712 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.309 3.984 -3.039 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.400 5.913 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.421 6.149 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.519 5.365 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.818 6.352 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.403 5.864 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.683 6.893 -1.034 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.495 6.650 1.390 1.00 0.00 H new ATOM 672 N HIS A 46 -2.017 2.246 -1.229 1.00 0.00 N ATOM 673 CA HIS A 46 -1.940 1.399 -0.133 1.00 0.00 C ATOM 674 C HIS A 46 -0.594 0.831 0.082 1.00 0.00 C ATOM 675 O HIS A 46 -0.312 -0.286 -0.311 1.00 0.00 O ATOM 676 CB HIS A 46 -3.040 0.321 -0.234 1.00 0.00 C ATOM 677 CG HIS A 46 -3.043 -0.484 -1.518 1.00 0.00 C ATOM 678 ND1 HIS A 46 -2.662 -1.802 -1.584 1.00 0.00 N ATOM 679 CD2 HIS A 46 -3.434 -0.149 -2.768 1.00 0.00 C ATOM 680 CE1 HIS A 46 -2.825 -2.237 -2.812 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.290 -1.255 -3.546 1.00 0.00 N ATOM 0 H HIS A 46 -1.596 1.917 -2.098 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.121 1.995 0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.931 -0.366 0.605 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.011 0.805 -0.126 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.794 0.817 -3.089 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.612 -3.237 -3.160 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.509 -1.312 -4.541 1.00 0.00 H new ATOM 690 N VAL A 47 0.179 1.624 0.784 1.00 0.00 N ATOM 691 CA VAL A 47 1.480 1.335 1.321 1.00 0.00 C ATOM 692 C VAL A 47 1.875 2.481 2.260 1.00 0.00 C ATOM 693 O VAL A 47 1.566 3.670 2.037 1.00 0.00 O ATOM 694 CB VAL A 47 2.664 1.070 0.278 1.00 0.00 C ATOM 695 CG1 VAL A 47 4.010 1.086 0.987 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.557 -0.284 -0.417 1.00 0.00 C ATOM 0 H VAL A 47 -0.117 2.573 1.012 1.00 0.00 H new ATOM 0 HA VAL A 47 1.367 0.376 1.827 1.00 0.00 H new ATOM 0 HB VAL A 47 2.581 1.865 -0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.805 0.904 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.162 2.058 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.029 0.308 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.389 -0.403 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.589 -1.079 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.616 -0.338 -0.965 1.00 0.00 H new ATOM 706 N HIS A 48 2.386 2.068 3.335 1.00 0.00 N ATOM 707 CA HIS A 48 3.052 2.876 4.368 1.00 0.00 C ATOM 708 C HIS A 48 4.126 2.034 5.081 1.00 0.00 C ATOM 709 O HIS A 48 3.813 1.262 5.998 1.00 0.00 O ATOM 710 CB HIS A 48 2.088 3.408 5.428 1.00 0.00 C ATOM 711 CG HIS A 48 1.556 4.786 5.277 1.00 0.00 C ATOM 712 ND1 HIS A 48 0.464 5.219 5.995 1.00 0.00 N ATOM 713 CD2 HIS A 48 2.011 5.865 4.603 1.00 0.00 C ATOM 714 CE1 HIS A 48 0.272 6.496 5.777 1.00 0.00 C ATOM 715 NE2 HIS A 48 1.194 6.928 4.940 1.00 0.00 N ATOM 0 H HIS A 48 2.372 1.078 3.579 1.00 0.00 H new ATOM 0 HA HIS A 48 3.492 3.728 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.237 2.728 5.473 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.593 3.352 6.393 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.108 4.634 6.604 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.854 5.892 3.928 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -0.513 7.097 6.212 1.00 0.00 H new ATOM 724 N GLU A 49 5.350 2.147 4.614 1.00 0.00 N ATOM 725 CA GLU A 49 6.520 1.466 5.217 1.00 0.00 C ATOM 726 C GLU A 49 6.970 2.310 6.434 1.00 0.00 C ATOM 727 O GLU A 49 6.548 3.472 6.522 1.00 0.00 O ATOM 728 CB GLU A 49 7.617 1.350 4.144 1.00 0.00 C ATOM 729 CG GLU A 49 8.524 0.112 4.226 1.00 0.00 C ATOM 730 CD GLU A 49 9.639 0.173 5.234 1.00 0.00 C ATOM 731 OE1 GLU A 49 9.420 -0.105 6.413 1.00 0.00 O ATOM 732 OE2 GLU A 49 10.763 0.439 4.834 1.00 0.00 O ATOM 0 H GLU A 49 5.584 2.714 3.799 1.00 0.00 H new ATOM 0 HA GLU A 49 6.288 0.458 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.139 1.359 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.246 2.239 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.902 -0.754 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.960 -0.059 3.242 1.00 0.00 H new ATOM 739 N PHE A 50 7.756 1.741 7.338 1.00 0.00 N ATOM 740 CA PHE A 50 8.133 2.376 8.600 1.00 0.00 C ATOM 741 C PHE A 50 6.883 2.376 9.486 1.00 0.00 C ATOM 742 O PHE A 50 6.677 3.209 10.360 1.00 0.00 O ATOM 743 CB PHE A 50 8.757 3.797 8.377 1.00 0.00 C ATOM 744 CG PHE A 50 9.320 4.461 9.614 1.00 0.00 C ATOM 745 CD1 PHE A 50 10.416 3.923 10.266 1.00 0.00 C ATOM 746 CD2 PHE A 50 8.759 5.628 10.109 1.00 0.00 C ATOM 747 CE1 PHE A 50 10.940 4.531 11.393 1.00 0.00 C ATOM 748 CE2 PHE A 50 9.276 6.241 11.235 1.00 0.00 C ATOM 749 CZ PHE A 50 10.369 5.692 11.877 1.00 0.00 C ATOM 0 H PHE A 50 8.157 0.811 7.216 1.00 0.00 H new ATOM 0 HA PHE A 50 8.926 1.822 9.101 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.552 3.713 7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.993 4.448 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.868 3.017 9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.907 6.064 9.608 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.794 4.099 11.893 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.826 7.148 11.612 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.776 6.170 12.756 1.00 0.00 H new ATOM 759 N GLY A 51 6.046 1.367 9.243 1.00 0.00 N ATOM 760 CA GLY A 51 4.870 1.161 10.026 1.00 0.00 C ATOM 761 C GLY A 51 5.218 0.656 11.393 1.00 0.00 C ATOM 762 O GLY A 51 6.403 0.525 11.728 1.00 0.00 O ATOM 0 H GLY A 51 6.180 0.684 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.316 2.096 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.216 0.447 9.526 1.00 0.00 H new ATOM 766 N ASP A 52 4.232 0.250 12.132 1.00 0.00 N ATOM 767 CA ASP A 52 4.437 0.058 13.569 1.00 0.00 C ATOM 768 C ASP A 52 3.189 -0.506 14.243 1.00 0.00 C ATOM 769 O ASP A 52 3.191 -1.626 14.730 1.00 0.00 O ATOM 770 CB ASP A 52 4.783 1.435 14.200 1.00 0.00 C ATOM 771 CG ASP A 52 5.196 1.380 15.648 1.00 0.00 C ATOM 772 OD1 ASP A 52 6.391 1.193 15.923 1.00 0.00 O ATOM 773 OD2 ASP A 52 4.346 1.581 16.537 1.00 0.00 O ATOM 0 H ASP A 52 3.292 0.044 11.793 1.00 0.00 H new ATOM 0 HA ASP A 52 5.247 -0.656 13.716 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.588 1.891 13.624 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.916 2.089 14.109 1.00 0.00 H new ATOM 778 N ASN A 53 2.116 0.256 14.207 1.00 0.00 N ATOM 779 CA ASN A 53 0.889 -0.088 14.930 1.00 0.00 C ATOM 780 C ASN A 53 -0.204 -0.523 13.958 1.00 0.00 C ATOM 781 O ASN A 53 -0.613 0.239 13.094 1.00 0.00 O ATOM 782 CB ASN A 53 0.433 1.140 15.742 1.00 0.00 C ATOM 783 CG ASN A 53 -0.731 0.892 16.703 1.00 0.00 C ATOM 784 OD1 ASN A 53 -1.605 0.064 16.471 1.00 0.00 O ATOM 785 ND2 ASN A 53 -0.744 1.616 17.791 1.00 0.00 N ATOM 0 H ASN A 53 2.060 1.128 13.682 1.00 0.00 H new ATOM 0 HA ASN A 53 1.084 -0.922 15.604 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.282 1.512 16.315 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.147 1.929 15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.494 1.499 18.472 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.004 2.298 17.959 1.00 0.00 H new ATOM 792 N THR A 54 -0.701 -1.724 14.138 1.00 0.00 N ATOM 793 CA THR A 54 -1.719 -2.317 13.276 1.00 0.00 C ATOM 794 C THR A 54 -3.119 -1.673 13.424 1.00 0.00 C ATOM 795 O THR A 54 -4.086 -2.107 12.795 1.00 0.00 O ATOM 796 CB THR A 54 -1.792 -3.827 13.541 1.00 0.00 C ATOM 797 OG1 THR A 54 -1.688 -4.061 14.966 1.00 0.00 O ATOM 798 CG2 THR A 54 -0.670 -4.559 12.816 1.00 0.00 C ATOM 0 H THR A 54 -0.409 -2.335 14.900 1.00 0.00 H new ATOM 0 HA THR A 54 -1.414 -2.123 12.248 1.00 0.00 H new ATOM 0 HB THR A 54 -2.743 -4.207 13.168 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.736 -5.024 15.144 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.742 -5.628 13.019 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.757 -4.386 11.743 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.293 -4.187 13.167 1.00 0.00 H new ATOM 806 N ALA A 55 -3.217 -0.657 14.247 1.00 0.00 N ATOM 807 CA ALA A 55 -4.458 0.052 14.454 1.00 0.00 C ATOM 808 C ALA A 55 -4.297 1.524 14.091 1.00 0.00 C ATOM 809 O ALA A 55 -5.086 2.370 14.528 1.00 0.00 O ATOM 810 CB ALA A 55 -4.899 -0.088 15.902 1.00 0.00 C ATOM 0 H ALA A 55 -2.435 -0.297 14.795 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.222 -0.381 13.808 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.836 0.449 16.051 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.044 -1.142 16.138 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.134 0.328 16.557 1.00 0.00 H new ATOM 816 N GLY A 56 -3.281 1.833 13.325 1.00 0.00 N ATOM 817 CA GLY A 56 -3.066 3.195 12.899 1.00 0.00 C ATOM 818 C GLY A 56 -1.619 3.463 12.577 1.00 0.00 C ATOM 819 O GLY A 56 -0.730 3.118 13.351 1.00 0.00 O ATOM 0 H GLY A 56 -2.591 1.163 12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.677 3.401 12.020 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.395 3.877 13.683 1.00 0.00 H new ATOM 823 N CYS A 57 -1.363 4.060 11.449 1.00 0.00 N ATOM 824 CA CYS A 57 -0.008 4.377 11.065 1.00 0.00 C ATOM 825 C CYS A 57 0.404 5.651 11.718 1.00 0.00 C ATOM 826 O CYS A 57 0.085 6.739 11.194 1.00 0.00 O ATOM 827 CB CYS A 57 0.139 4.613 9.575 1.00 0.00 C ATOM 828 SG CYS A 57 -0.645 3.394 8.491 1.00 0.00 S ATOM 0 H CYS A 57 -2.074 4.340 10.773 1.00 0.00 H new ATOM 0 HA CYS A 57 0.601 3.524 11.365 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.273 5.595 9.341 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.202 4.649 9.337 1.00 0.00 H new ATOM 833 N THR A 58 1.002 5.542 12.877 1.00 0.00 N ATOM 834 CA THR A 58 1.582 6.673 13.523 1.00 0.00 C ATOM 835 C THR A 58 2.943 7.006 12.888 1.00 0.00 C ATOM 836 O THR A 58 3.093 8.056 12.269 1.00 0.00 O ATOM 837 CB THR A 58 1.673 6.492 15.086 1.00 0.00 C ATOM 838 OG1 THR A 58 2.460 7.523 15.684 1.00 0.00 O ATOM 839 CG2 THR A 58 2.205 5.114 15.493 1.00 0.00 C ATOM 0 H THR A 58 1.096 4.666 13.391 1.00 0.00 H new ATOM 0 HA THR A 58 0.921 7.526 13.368 1.00 0.00 H new ATOM 0 HB THR A 58 0.652 6.568 15.459 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.497 7.385 16.654 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.246 5.046 16.580 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.543 4.340 15.106 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.205 4.974 15.083 1.00 0.00 H new ATOM 847 N SER A 59 3.883 6.072 12.960 1.00 0.00 N ATOM 848 CA SER A 59 5.229 6.268 12.461 1.00 0.00 C ATOM 849 C SER A 59 5.256 6.440 10.934 1.00 0.00 C ATOM 850 O SER A 59 5.847 7.366 10.418 1.00 0.00 O ATOM 851 CB SER A 59 6.076 5.073 12.885 1.00 0.00 C ATOM 852 OG SER A 59 5.924 4.812 14.283 1.00 0.00 O ATOM 0 H SER A 59 3.727 5.151 13.370 1.00 0.00 H new ATOM 0 HA SER A 59 5.634 7.187 12.884 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.783 4.193 12.312 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.125 5.266 12.659 1.00 0.00 H new ATOM 0 HG SER A 59 6.474 4.041 14.534 1.00 0.00 H new ATOM 858 N ALA A 60 4.559 5.569 10.242 1.00 0.00 N ATOM 859 CA ALA A 60 4.494 5.579 8.792 1.00 0.00 C ATOM 860 C ALA A 60 3.580 6.675 8.246 1.00 0.00 C ATOM 861 O ALA A 60 3.478 6.835 7.037 1.00 0.00 O ATOM 862 CB ALA A 60 4.039 4.235 8.291 1.00 0.00 C ATOM 0 H ALA A 60 4.013 4.823 10.672 1.00 0.00 H new ATOM 0 HA ALA A 60 5.499 5.794 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.992 4.249 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.744 3.469 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.051 4.012 8.694 1.00 0.00 H new ATOM 868 N GLY A 61 2.873 7.367 9.145 1.00 0.00 N ATOM 869 CA GLY A 61 1.873 8.385 8.788 1.00 0.00 C ATOM 870 C GLY A 61 2.252 9.314 7.618 1.00 0.00 C ATOM 871 O GLY A 61 1.678 9.179 6.518 1.00 0.00 O ATOM 0 H GLY A 61 2.978 7.237 10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.940 7.879 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.677 8.999 9.667 1.00 0.00 H new ATOM 875 N PRO A 62 3.206 10.245 7.799 1.00 0.00 N ATOM 876 CA PRO A 62 3.619 11.190 6.738 1.00 0.00 C ATOM 877 C PRO A 62 4.430 10.505 5.628 1.00 0.00 C ATOM 878 O PRO A 62 4.551 11.030 4.524 1.00 0.00 O ATOM 879 CB PRO A 62 4.500 12.212 7.485 1.00 0.00 C ATOM 880 CG PRO A 62 4.240 11.962 8.937 1.00 0.00 C ATOM 881 CD PRO A 62 3.949 10.501 9.047 1.00 0.00 C ATOM 0 HA PRO A 62 2.759 11.633 6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.554 12.075 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.240 13.234 7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.104 12.236 9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.399 12.557 9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.860 9.906 9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.355 10.268 9.931 1.00 0.00 H new ATOM 889 N HIS A 63 4.926 9.322 5.944 1.00 0.00 N ATOM 890 CA HIS A 63 5.769 8.476 5.100 1.00 0.00 C ATOM 891 C HIS A 63 7.140 9.107 4.816 1.00 0.00 C ATOM 892 O HIS A 63 7.257 10.106 4.088 1.00 0.00 O ATOM 893 CB HIS A 63 5.051 7.968 3.766 1.00 0.00 C ATOM 894 CG HIS A 63 5.329 8.734 2.457 1.00 0.00 C ATOM 895 ND1 HIS A 63 6.363 8.637 1.571 1.00 0.00 N flip ATOM 896 CD2 HIS A 63 4.504 9.696 1.937 1.00 0.00 C flip ATOM 897 CE1 HIS A 63 6.130 9.530 0.561 1.00 0.00 C flip ATOM 898 NE2 HIS A 63 5.005 10.140 0.809 1.00 0.00 N flip ATOM 0 H HIS A 63 4.743 8.895 6.852 1.00 0.00 H new ATOM 0 HA HIS A 63 5.947 7.578 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.334 6.927 3.610 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.975 7.983 3.940 1.00 0.00 H new ATOM 0 HD1 HIS A 63 7.165 8.011 1.648 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.583 10.036 2.387 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.768 9.700 -0.294 1.00 0.00 H new ATOM 907 N PHE A 64 8.162 8.584 5.424 1.00 0.00 N ATOM 908 CA PHE A 64 9.463 8.931 4.974 1.00 0.00 C ATOM 909 C PHE A 64 10.253 7.665 4.777 1.00 0.00 C ATOM 910 O PHE A 64 10.957 7.169 5.661 1.00 0.00 O ATOM 911 CB PHE A 64 10.178 9.922 5.915 1.00 0.00 C ATOM 912 CG PHE A 64 11.503 10.407 5.377 1.00 0.00 C ATOM 913 CD1 PHE A 64 11.555 11.154 4.211 1.00 0.00 C ATOM 914 CD2 PHE A 64 12.691 10.102 6.024 1.00 0.00 C ATOM 915 CE1 PHE A 64 12.760 11.592 3.703 1.00 0.00 C ATOM 916 CE2 PHE A 64 13.901 10.538 5.517 1.00 0.00 C ATOM 917 CZ PHE A 64 13.935 11.283 4.355 1.00 0.00 C ATOM 0 H PHE A 64 8.119 7.935 6.210 1.00 0.00 H new ATOM 0 HA PHE A 64 9.377 9.459 4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.529 10.780 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.339 9.443 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 64 10.639 11.397 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.671 9.518 6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.783 12.177 2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 64 14.820 10.296 6.030 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.880 11.623 3.958 1.00 0.00 H new ATOM 927 N ASN A 65 10.042 7.126 3.625 1.00 0.00 N ATOM 928 CA ASN A 65 10.729 6.003 3.094 1.00 0.00 C ATOM 929 C ASN A 65 11.424 6.439 1.803 1.00 0.00 C ATOM 930 O ASN A 65 10.830 6.422 0.729 1.00 0.00 O ATOM 931 CB ASN A 65 9.786 4.755 2.983 1.00 0.00 C ATOM 932 CG ASN A 65 8.400 5.008 2.345 1.00 0.00 C ATOM 933 OD1 ASN A 65 7.871 6.128 2.336 1.00 0.00 O ATOM 934 ND2 ASN A 65 7.763 3.954 1.899 1.00 0.00 N ATOM 0 H ASN A 65 9.334 7.486 2.985 1.00 0.00 H new ATOM 0 HA ASN A 65 11.513 5.655 3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.298 3.988 2.401 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.635 4.348 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.814 4.047 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.216 3.040 1.915 1.00 0.00 H new ATOM 941 N PRO A 66 12.686 6.899 1.942 1.00 0.00 N ATOM 942 CA PRO A 66 13.497 7.592 0.910 1.00 0.00 C ATOM 943 C PRO A 66 13.274 7.268 -0.575 1.00 0.00 C ATOM 944 O PRO A 66 13.039 8.176 -1.357 1.00 0.00 O ATOM 945 CB PRO A 66 14.902 7.241 1.321 1.00 0.00 C ATOM 946 CG PRO A 66 14.844 7.312 2.799 1.00 0.00 C ATOM 947 CD PRO A 66 13.483 6.789 3.192 1.00 0.00 C ATOM 0 HA PRO A 66 13.217 8.646 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.187 6.247 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 66 15.629 7.942 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.636 6.713 3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.983 8.336 3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.537 5.758 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.046 7.378 3.998 1.00 0.00 H new ATOM 955 N LEU A 67 13.350 6.013 -0.978 1.00 0.00 N ATOM 956 CA LEU A 67 13.284 5.731 -2.410 1.00 0.00 C ATOM 957 C LEU A 67 11.888 5.411 -2.908 1.00 0.00 C ATOM 958 O LEU A 67 11.676 5.217 -4.099 1.00 0.00 O ATOM 959 CB LEU A 67 14.309 4.687 -2.858 1.00 0.00 C ATOM 960 CG LEU A 67 15.791 5.064 -2.677 1.00 0.00 C ATOM 961 CD1 LEU A 67 16.690 3.962 -3.210 1.00 0.00 C ATOM 962 CD2 LEU A 67 16.112 6.386 -3.366 1.00 0.00 C ATOM 0 H LEU A 67 13.453 5.201 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 67 13.560 6.670 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.121 3.765 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.138 4.470 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 67 15.977 5.184 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.734 4.246 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.492 3.037 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.491 3.811 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 67 17.165 6.626 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 67 15.903 6.301 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 67 15.497 7.178 -2.938 1.00 0.00 H new ATOM 974 N SER A 68 10.914 5.431 -2.024 1.00 0.00 N ATOM 975 CA SER A 68 9.504 5.225 -2.384 1.00 0.00 C ATOM 976 C SER A 68 8.948 6.513 -2.978 1.00 0.00 C ATOM 977 O SER A 68 7.853 6.992 -2.626 1.00 0.00 O ATOM 978 CB SER A 68 8.720 4.865 -1.144 1.00 0.00 C ATOM 979 OG SER A 68 9.276 3.736 -0.502 1.00 0.00 O ATOM 0 H SER A 68 11.065 5.590 -1.028 1.00 0.00 H new ATOM 0 HA SER A 68 9.423 4.419 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.712 5.711 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.683 4.661 -1.412 1.00 0.00 H new ATOM 0 HG SER A 68 9.826 4.028 0.255 1.00 0.00 H new ATOM 985 N ARG A 69 9.692 7.042 -3.892 1.00 0.00 N ATOM 986 CA ARG A 69 9.420 8.313 -4.466 1.00 0.00 C ATOM 987 C ARG A 69 9.523 8.268 -5.966 1.00 0.00 C ATOM 988 O ARG A 69 8.794 8.966 -6.618 1.00 0.00 O ATOM 989 CB ARG A 69 10.435 9.359 -3.949 1.00 0.00 C ATOM 990 CG ARG A 69 10.455 9.586 -2.433 1.00 0.00 C ATOM 991 CD ARG A 69 9.087 9.955 -1.920 1.00 0.00 C ATOM 992 NE ARG A 69 8.517 11.029 -2.707 1.00 0.00 N ATOM 993 CZ ARG A 69 7.330 10.982 -3.304 1.00 0.00 C ATOM 994 NH1 ARG A 69 6.507 9.956 -3.076 1.00 0.00 N ATOM 995 NH2 ARG A 69 6.979 11.931 -4.156 1.00 0.00 N ATOM 0 H ARG A 69 10.525 6.590 -4.268 1.00 0.00 H new ATOM 0 HA ARG A 69 8.405 8.588 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.433 9.054 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.225 10.311 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.803 8.683 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.163 10.378 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.433 9.084 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.155 10.259 -0.876 1.00 0.00 H new ATOM 0 HE ARG A 69 9.066 11.883 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.789 9.207 -2.443 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.597 9.921 -3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.619 12.700 -4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.068 11.894 -4.614 1.00 0.00 H new ATOM 1009 N LYS A 70 10.374 7.358 -6.495 1.00 0.00 N ATOM 1010 CA LYS A 70 10.704 7.273 -7.920 1.00 0.00 C ATOM 1011 C LYS A 70 9.516 7.524 -8.835 1.00 0.00 C ATOM 1012 O LYS A 70 9.577 8.417 -9.668 1.00 0.00 O ATOM 1013 CB LYS A 70 11.370 5.943 -8.264 1.00 0.00 C ATOM 1014 CG LYS A 70 11.915 5.872 -9.686 1.00 0.00 C ATOM 1015 CD LYS A 70 13.020 6.898 -9.886 1.00 0.00 C ATOM 1016 CE LYS A 70 13.564 6.880 -11.295 1.00 0.00 C ATOM 1017 NZ LYS A 70 14.647 7.862 -11.452 1.00 0.00 N ATOM 0 H LYS A 70 10.852 6.657 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 70 11.414 8.080 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.186 5.765 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.648 5.139 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.300 4.872 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.111 6.052 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.636 7.893 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.829 6.700 -9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.934 5.883 -11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.763 7.100 -12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.005 7.831 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.284 8.815 -11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.419 7.636 -10.793 1.00 0.00 H new ATOM 1031 N HIS A 71 8.453 6.746 -8.675 1.00 0.00 N ATOM 1032 CA HIS A 71 7.223 6.940 -9.439 1.00 0.00 C ATOM 1033 C HIS A 71 6.172 5.938 -8.995 1.00 0.00 C ATOM 1034 O HIS A 71 5.814 5.080 -9.766 1.00 0.00 O ATOM 1035 CB HIS A 71 7.462 6.853 -10.996 1.00 0.00 C ATOM 1036 CG HIS A 71 6.233 7.063 -11.868 1.00 0.00 C ATOM 1037 ND1 HIS A 71 5.794 6.131 -12.784 1.00 0.00 N ATOM 1038 CD2 HIS A 71 5.366 8.099 -11.959 1.00 0.00 C ATOM 1039 CE1 HIS A 71 4.721 6.574 -13.387 1.00 0.00 C ATOM 1040 NE2 HIS A 71 4.436 7.763 -12.912 1.00 0.00 N ATOM 0 H HIS A 71 8.417 5.967 -8.017 1.00 0.00 H new ATOM 0 HA HIS A 71 6.864 7.949 -9.235 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.211 7.596 -11.272 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.884 5.875 -11.226 1.00 0.00 H new ATOM 0 HD1 HIS A 71 6.239 5.231 -12.964 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.399 9.016 -11.390 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.163 6.049 -14.148 1.00 0.00 H new ATOM 1049 N GLY A 72 5.799 5.983 -7.691 1.00 0.00 N ATOM 1050 CA GLY A 72 4.681 5.162 -7.165 1.00 0.00 C ATOM 1051 C GLY A 72 3.524 5.070 -8.128 1.00 0.00 C ATOM 1052 O GLY A 72 2.800 6.051 -8.342 1.00 0.00 O ATOM 0 H GLY A 72 6.251 6.572 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.045 4.159 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.333 5.589 -6.225 1.00 0.00 H new ATOM 1056 N GLY A 73 3.398 3.931 -8.733 1.00 0.00 N ATOM 1057 CA GLY A 73 2.404 3.709 -9.713 1.00 0.00 C ATOM 1058 C GLY A 73 1.769 2.378 -9.497 1.00 0.00 C ATOM 1059 O GLY A 73 2.304 1.582 -8.758 1.00 0.00 O ATOM 0 H GLY A 73 3.995 3.124 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.650 4.494 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.846 3.754 -10.709 1.00 0.00 H new ATOM 1063 N PRO A 74 0.662 2.104 -10.170 1.00 0.00 N ATOM 1064 CA PRO A 74 -0.133 0.922 -9.941 1.00 0.00 C ATOM 1065 C PRO A 74 0.187 -0.288 -10.833 1.00 0.00 C ATOM 1066 O PRO A 74 -0.551 -1.292 -10.797 1.00 0.00 O ATOM 1067 CB PRO A 74 -1.532 1.430 -10.222 1.00 0.00 C ATOM 1068 CG PRO A 74 -1.364 2.469 -11.287 1.00 0.00 C ATOM 1069 CD PRO A 74 0.064 2.953 -11.210 1.00 0.00 C ATOM 0 HA PRO A 74 0.045 0.525 -8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.184 0.624 -10.558 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.985 1.854 -9.326 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.577 2.051 -12.271 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.060 3.294 -11.134 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.578 2.839 -12.165 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.116 4.009 -10.944 1.00 0.00 H new ATOM 1077 N LYS A 75 1.168 -0.195 -11.712 1.00 0.00 N ATOM 1078 CA LYS A 75 1.453 -1.361 -12.555 1.00 0.00 C ATOM 1079 C LYS A 75 2.769 -2.001 -12.123 1.00 0.00 C ATOM 1080 O LYS A 75 2.974 -3.232 -12.308 1.00 0.00 O ATOM 1081 CB LYS A 75 1.615 -0.913 -14.009 1.00 0.00 C ATOM 1082 CG LYS A 75 0.495 -0.046 -14.554 1.00 0.00 C ATOM 1083 CD LYS A 75 0.840 0.416 -15.954 1.00 0.00 C ATOM 1084 CE LYS A 75 -0.179 1.393 -16.506 1.00 0.00 C ATOM 1085 NZ LYS A 75 0.191 1.856 -17.864 1.00 0.00 N ATOM 0 H LYS A 75 1.757 0.624 -11.864 1.00 0.00 H new ATOM 0 HA LYS A 75 0.631 -2.070 -12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.553 -0.364 -14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.703 -1.800 -14.637 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.439 -0.608 -14.566 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.340 0.816 -13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.823 0.886 -15.947 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.905 -0.449 -16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.160 0.918 -16.537 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.261 2.251 -15.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.528 2.523 -18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.116 2.331 -17.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.245 1.040 -18.506 1.00 0.00 H new ATOM 1099 N ASP A 76 3.657 -1.142 -11.644 1.00 0.00 N ATOM 1100 CA ASP A 76 4.904 -1.427 -10.947 1.00 0.00 C ATOM 1101 C ASP A 76 5.715 -0.169 -11.107 1.00 0.00 C ATOM 1102 O ASP A 76 5.847 0.265 -12.243 1.00 0.00 O ATOM 1103 CB ASP A 76 5.718 -2.659 -11.483 1.00 0.00 C ATOM 1104 CG ASP A 76 6.619 -2.418 -12.696 1.00 0.00 C ATOM 1105 OD1 ASP A 76 6.156 -2.536 -13.867 1.00 0.00 O ATOM 1106 OD2 ASP A 76 7.826 -2.139 -12.498 1.00 0.00 O ATOM 0 H ASP A 76 3.510 -0.137 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 76 4.680 -1.702 -9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.338 -3.036 -10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.011 -3.448 -11.737 1.00 0.00 H new ATOM 1111 N GLU A 77 6.109 0.498 -10.028 1.00 0.00 N ATOM 1112 CA GLU A 77 7.039 1.620 -10.046 1.00 0.00 C ATOM 1113 C GLU A 77 6.992 2.362 -8.796 1.00 0.00 C ATOM 1114 O GLU A 77 5.921 2.603 -8.238 1.00 0.00 O ATOM 1115 CB GLU A 77 6.959 2.647 -11.204 1.00 0.00 C ATOM 1116 CG GLU A 77 7.950 2.401 -12.342 1.00 0.00 C ATOM 1117 CD GLU A 77 8.030 3.565 -13.285 1.00 0.00 C ATOM 1118 OE1 GLU A 77 6.978 3.988 -13.820 1.00 0.00 O ATOM 1119 OE2 GLU A 77 9.147 4.087 -13.527 1.00 0.00 O ATOM 0 H GLU A 77 5.781 0.266 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 77 7.980 1.095 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.948 2.637 -11.612 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.130 3.645 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.938 2.205 -11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.653 1.509 -12.893 1.00 0.00 H new ATOM 1126 N GLU A 78 8.152 2.491 -8.298 1.00 0.00 N ATOM 1127 CA GLU A 78 8.630 3.348 -7.305 1.00 0.00 C ATOM 1128 C GLU A 78 9.907 2.699 -6.914 1.00 0.00 C ATOM 1129 O GLU A 78 10.298 1.725 -7.578 1.00 0.00 O ATOM 1130 CB GLU A 78 7.647 3.709 -6.147 1.00 0.00 C ATOM 1131 CG GLU A 78 7.061 2.586 -5.350 1.00 0.00 C ATOM 1132 CD GLU A 78 8.064 2.031 -4.472 1.00 0.00 C ATOM 1133 OE1 GLU A 78 8.545 2.778 -3.616 1.00 0.00 O ATOM 1134 OE2 GLU A 78 8.445 0.915 -4.645 1.00 0.00 O ATOM 0 H GLU A 78 8.908 1.897 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 78 8.769 4.366 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.171 4.370 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.823 4.281 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.214 2.946 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.682 1.813 -6.019 1.00 0.00 H new ATOM 1141 N ARG A 79 10.560 3.153 -5.940 1.00 0.00 N ATOM 1142 CA ARG A 79 11.846 2.536 -5.624 1.00 0.00 C ATOM 1143 C ARG A 79 12.034 1.932 -4.251 1.00 0.00 C ATOM 1144 O ARG A 79 13.154 1.583 -3.912 1.00 0.00 O ATOM 1145 CB ARG A 79 13.072 3.331 -6.111 1.00 0.00 C ATOM 1146 CG ARG A 79 13.370 3.180 -7.613 1.00 0.00 C ATOM 1147 CD ARG A 79 13.839 1.760 -7.986 1.00 0.00 C ATOM 1148 NE ARG A 79 12.832 0.723 -7.728 1.00 0.00 N ATOM 1149 CZ ARG A 79 13.093 -0.521 -7.314 1.00 0.00 C ATOM 1150 NH1 ARG A 79 14.352 -0.959 -7.244 1.00 0.00 N ATOM 1151 NH2 ARG A 79 12.089 -1.329 -6.977 1.00 0.00 N ATOM 0 H ARG A 79 10.273 3.925 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 79 11.780 1.644 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.918 4.387 -5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.947 3.010 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.474 3.424 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.137 3.899 -7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.107 1.740 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.743 1.525 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 79 11.854 0.972 -7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 79 15.122 -0.343 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.545 -1.909 -6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.126 -0.998 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.283 -2.279 -6.661 1.00 0.00 H new ATOM 1165 N HIS A 80 11.002 1.772 -3.464 1.00 0.00 N ATOM 1166 CA HIS A 80 11.202 0.976 -2.234 1.00 0.00 C ATOM 1167 C HIS A 80 10.045 0.081 -1.992 1.00 0.00 C ATOM 1168 O HIS A 80 10.144 -1.135 -2.060 1.00 0.00 O ATOM 1169 CB HIS A 80 11.484 1.826 -0.983 1.00 0.00 C ATOM 1170 CG HIS A 80 12.928 2.062 -0.652 1.00 0.00 C ATOM 1171 ND1 HIS A 80 13.977 1.551 -1.368 1.00 0.00 N ATOM 1172 CD2 HIS A 80 13.485 2.720 0.379 1.00 0.00 C ATOM 1173 CE1 HIS A 80 15.100 1.868 -0.801 1.00 0.00 C ATOM 1174 NE2 HIS A 80 14.838 2.584 0.265 1.00 0.00 N ATOM 0 H HIS A 80 10.065 2.145 -3.616 1.00 0.00 H new ATOM 0 HA HIS A 80 12.098 0.380 -2.411 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.000 2.794 -1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.011 1.343 -0.128 1.00 0.00 H new ATOM 0 HD1 HIS A 80 13.889 1.001 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.959 3.257 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 80 16.084 1.589 -1.148 1.00 0.00 H new ATOM 1183 N VAL A 81 8.981 0.721 -1.711 1.00 0.00 N ATOM 1184 CA VAL A 81 7.705 0.180 -1.439 1.00 0.00 C ATOM 1185 C VAL A 81 6.867 1.378 -1.034 1.00 0.00 C ATOM 1186 O VAL A 81 6.912 1.868 0.103 1.00 0.00 O ATOM 1187 CB VAL A 81 7.703 -0.997 -0.383 1.00 0.00 C ATOM 1188 CG1 VAL A 81 8.332 -0.611 0.940 1.00 0.00 C ATOM 1189 CG2 VAL A 81 6.306 -1.572 -0.193 1.00 0.00 C ATOM 0 H VAL A 81 8.978 1.740 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 81 7.293 -0.324 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 81 8.335 -1.781 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.299 -1.462 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.369 -0.316 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.781 0.223 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.341 -2.379 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.635 -0.789 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.940 -1.960 -1.143 1.00 0.00 H new ATOM 1199 N GLY A 82 6.277 1.960 -2.014 1.00 0.00 N ATOM 1200 CA GLY A 82 5.536 3.164 -1.824 1.00 0.00 C ATOM 1201 C GLY A 82 4.095 2.962 -2.033 1.00 0.00 C ATOM 1202 O GLY A 82 3.282 3.564 -1.327 1.00 0.00 O ATOM 0 H GLY A 82 6.291 1.618 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.707 3.540 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.899 3.926 -2.514 1.00 0.00 H new ATOM 1206 N ASP A 83 3.768 2.082 -2.955 1.00 0.00 N ATOM 1207 CA ASP A 83 2.405 1.773 -3.293 1.00 0.00 C ATOM 1208 C ASP A 83 2.346 0.526 -4.172 1.00 0.00 C ATOM 1209 O ASP A 83 3.386 -0.006 -4.567 1.00 0.00 O ATOM 1210 CB ASP A 83 1.638 2.949 -3.915 1.00 0.00 C ATOM 1211 CG ASP A 83 0.254 3.058 -3.296 1.00 0.00 C ATOM 1212 OD1 ASP A 83 -0.529 2.072 -3.375 1.00 0.00 O ATOM 1213 OD2 ASP A 83 -0.047 4.100 -2.625 1.00 0.00 O ATOM 0 H ASP A 83 4.455 1.556 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 83 1.890 1.567 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.189 3.876 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.553 2.808 -4.992 1.00 0.00 H new ATOM 1218 N LEU A 84 1.146 0.083 -4.389 1.00 0.00 N ATOM 1219 CA LEU A 84 0.840 -1.132 -5.085 1.00 0.00 C ATOM 1220 C LEU A 84 -0.366 -0.820 -6.009 1.00 0.00 C ATOM 1221 O LEU A 84 -0.956 0.261 -5.896 1.00 0.00 O ATOM 1222 CB LEU A 84 0.525 -2.231 -4.000 1.00 0.00 C ATOM 1223 CG LEU A 84 0.596 -3.748 -4.376 1.00 0.00 C ATOM 1224 CD1 LEU A 84 0.757 -4.567 -3.111 1.00 0.00 C ATOM 1225 CD2 LEU A 84 -0.657 -4.243 -5.091 1.00 0.00 C ATOM 0 H LEU A 84 0.314 0.581 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 84 1.656 -1.508 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.212 -2.071 -3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.480 -2.037 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 84 1.444 -3.865 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.807 -5.625 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.675 -4.273 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.095 -4.392 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.548 -5.302 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.524 -4.102 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.796 -3.679 -6.014 1.00 0.00 H new ATOM 1237 N GLY A 85 -0.703 -1.756 -6.888 1.00 0.00 N ATOM 1238 CA GLY A 85 -1.795 -1.643 -7.860 1.00 0.00 C ATOM 1239 C GLY A 85 -3.046 -0.956 -7.341 1.00 0.00 C ATOM 1240 O GLY A 85 -3.443 -1.115 -6.176 1.00 0.00 O ATOM 0 H GLY A 85 -0.210 -2.647 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.432 -1.096 -8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.063 -2.643 -8.201 1.00 0.00 H new ATOM 1244 N ASN A 86 -3.707 -0.270 -8.241 1.00 0.00 N ATOM 1245 CA ASN A 86 -4.730 0.667 -7.919 1.00 0.00 C ATOM 1246 C ASN A 86 -6.016 -0.081 -7.627 1.00 0.00 C ATOM 1247 O ASN A 86 -6.376 -1.009 -8.353 1.00 0.00 O ATOM 1248 CB ASN A 86 -4.918 1.607 -9.132 1.00 0.00 C ATOM 1249 CG ASN A 86 -5.772 2.843 -8.859 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -6.610 2.874 -7.962 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -5.584 3.862 -9.655 1.00 0.00 N ATOM 0 H ASN A 86 -3.536 -0.358 -9.243 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.460 1.251 -7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.936 1.930 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.373 1.041 -9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.140 4.709 -9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.881 3.810 -10.392 1.00 0.00 H new ATOM 1258 N VAL A 87 -6.702 0.315 -6.592 1.00 0.00 N ATOM 1259 CA VAL A 87 -7.915 -0.294 -6.207 1.00 0.00 C ATOM 1260 C VAL A 87 -8.864 0.852 -5.909 1.00 0.00 C ATOM 1261 O VAL A 87 -8.525 1.766 -5.178 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.730 -1.258 -4.949 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -6.842 -2.446 -5.287 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -7.155 -0.527 -3.733 1.00 0.00 C ATOM 0 H VAL A 87 -6.416 1.087 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.303 -0.939 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.728 -1.614 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.736 -3.083 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.293 -3.018 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.860 -2.089 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.049 -1.227 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.179 -0.113 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.827 0.280 -3.442 1.00 0.00 H new ATOM 1274 N THR A 88 -9.982 0.842 -6.505 1.00 0.00 N ATOM 1275 CA THR A 88 -10.908 1.879 -6.338 1.00 0.00 C ATOM 1276 C THR A 88 -12.284 1.287 -6.287 1.00 0.00 C ATOM 1277 O THR A 88 -12.551 0.249 -6.911 1.00 0.00 O ATOM 1278 CB THR A 88 -10.778 2.973 -7.456 1.00 0.00 C ATOM 1279 OG1 THR A 88 -11.645 4.077 -7.179 1.00 0.00 O ATOM 1280 CG2 THR A 88 -11.088 2.415 -8.843 1.00 0.00 C ATOM 0 H THR A 88 -10.287 0.100 -7.135 1.00 0.00 H new ATOM 0 HA THR A 88 -10.703 2.395 -5.400 1.00 0.00 H new ATOM 0 HB THR A 88 -9.742 3.311 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 88 -11.551 4.751 -7.884 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.986 3.207 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.392 1.609 -9.075 1.00 0.00 H new ATOM 0 HG23 THR A 88 -12.108 2.031 -8.861 1.00 0.00 H new ATOM 1288 N ALA A 89 -13.111 1.902 -5.563 1.00 0.00 N ATOM 1289 CA ALA A 89 -14.466 1.512 -5.403 1.00 0.00 C ATOM 1290 C ALA A 89 -15.247 2.741 -5.576 1.00 0.00 C ATOM 1291 O ALA A 89 -14.696 3.791 -5.516 1.00 0.00 O ATOM 1292 CB ALA A 89 -14.721 0.911 -4.050 1.00 0.00 C ATOM 0 H ALA A 89 -12.865 2.737 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.738 0.743 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.770 0.627 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.095 0.028 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.483 1.641 -3.277 1.00 0.00 H new ATOM 1298 N ASP A 90 -16.407 2.646 -5.957 1.00 0.00 N ATOM 1299 CA ASP A 90 -17.179 3.852 -6.048 1.00 0.00 C ATOM 1300 C ASP A 90 -18.060 3.868 -4.818 1.00 0.00 C ATOM 1301 O ASP A 90 -17.699 3.303 -3.794 1.00 0.00 O ATOM 1302 CB ASP A 90 -17.987 3.887 -7.349 1.00 0.00 C ATOM 1303 CG ASP A 90 -18.395 5.297 -7.719 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -19.466 5.769 -7.268 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -17.644 5.977 -8.444 1.00 0.00 O ATOM 0 H ASP A 90 -16.884 1.783 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.549 4.741 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -17.395 3.456 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.877 3.267 -7.241 1.00 0.00 H new ATOM 1310 N LYS A 91 -19.181 4.511 -4.878 1.00 0.00 N ATOM 1311 CA LYS A 91 -20.213 4.452 -3.816 1.00 0.00 C ATOM 1312 C LYS A 91 -20.802 3.000 -3.613 1.00 0.00 C ATOM 1313 O LYS A 91 -21.847 2.821 -2.991 1.00 0.00 O ATOM 1314 CB LYS A 91 -21.332 5.436 -4.118 1.00 0.00 C ATOM 1315 CG LYS A 91 -20.846 6.859 -4.268 1.00 0.00 C ATOM 1316 CD LYS A 91 -21.971 7.782 -4.647 1.00 0.00 C ATOM 1317 CE LYS A 91 -21.465 9.182 -4.916 1.00 0.00 C ATOM 1318 NZ LYS A 91 -22.550 10.077 -5.343 1.00 0.00 N ATOM 0 H LYS A 91 -19.438 5.108 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.723 4.727 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.837 5.132 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.071 5.393 -3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -20.398 7.193 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -20.066 6.901 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.476 7.399 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.709 7.807 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.998 9.580 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -20.695 9.149 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -22.167 11.028 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -22.979 9.710 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -23.273 10.127 -4.597 1.00 0.00 H new ATOM 1332 N ASP A 92 -20.101 2.018 -4.123 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.321 0.612 -3.932 1.00 0.00 C ATOM 1334 C ASP A 92 -18.931 0.063 -3.628 1.00 0.00 C ATOM 1335 O ASP A 92 -18.055 0.082 -4.503 1.00 0.00 O ATOM 1336 CB ASP A 92 -20.890 -0.036 -5.203 1.00 0.00 C ATOM 1337 CG ASP A 92 -21.163 -1.514 -5.026 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -20.262 -2.337 -5.280 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -22.296 -1.886 -4.629 1.00 0.00 O ATOM 0 H ASP A 92 -19.301 2.199 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.042 0.407 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.814 0.470 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -20.188 0.105 -6.025 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.716 -0.340 -2.390 1.00 0.00 N ATOM 1345 CA GLY A 93 -17.389 -0.692 -1.912 1.00 0.00 C ATOM 1346 C GLY A 93 -16.886 -2.039 -2.368 1.00 0.00 C ATOM 1347 O GLY A 93 -17.134 -3.047 -1.711 1.00 0.00 O ATOM 0 H GLY A 93 -19.451 -0.433 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.685 0.073 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.394 -0.672 -0.822 1.00 0.00 H new ATOM 1351 N VAL A 94 -16.165 -2.049 -3.479 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.524 -3.217 -4.038 1.00 0.00 C ATOM 1353 C VAL A 94 -14.429 -2.685 -4.926 1.00 0.00 C ATOM 1354 O VAL A 94 -14.691 -2.173 -6.027 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.438 -4.139 -4.947 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -15.659 -5.368 -5.398 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -17.726 -4.583 -4.273 1.00 0.00 C ATOM 0 H VAL A 94 -16.008 -1.207 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.208 -3.841 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.723 -3.526 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.297 -5.994 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.786 -5.055 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.336 -5.935 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.297 -5.210 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.489 -5.150 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.317 -3.707 -4.005 1.00 0.00 H new ATOM 1367 N ALA A 95 -13.243 -2.764 -4.466 1.00 0.00 N ATOM 1368 CA ALA A 95 -12.136 -2.349 -5.213 1.00 0.00 C ATOM 1369 C ALA A 95 -11.544 -3.548 -5.892 1.00 0.00 C ATOM 1370 O ALA A 95 -11.295 -4.577 -5.247 1.00 0.00 O ATOM 1371 CB ALA A 95 -11.140 -1.656 -4.323 1.00 0.00 C ATOM 0 H ALA A 95 -13.014 -3.127 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.436 -1.629 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.282 -1.337 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.607 -0.785 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.808 -2.343 -3.545 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.350 -3.424 -7.171 1.00 0.00 N ATOM 1378 CA ASP A 96 -10.890 -4.507 -8.003 1.00 0.00 C ATOM 1379 C ASP A 96 -9.386 -4.643 -7.918 1.00 0.00 C ATOM 1380 O ASP A 96 -8.674 -3.658 -7.698 1.00 0.00 O ATOM 1381 CB ASP A 96 -11.372 -4.318 -9.453 1.00 0.00 C ATOM 1382 CG ASP A 96 -10.903 -5.403 -10.407 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.108 -6.606 -10.115 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -10.297 -5.072 -11.445 1.00 0.00 O ATOM 0 H ASP A 96 -11.508 -2.554 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.320 -5.439 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.462 -4.287 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.023 -3.352 -9.818 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.919 -5.833 -8.152 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.558 -6.206 -7.978 1.00 0.00 C ATOM 1391 C VAL A 97 -6.708 -5.789 -9.161 1.00 0.00 C ATOM 1392 O VAL A 97 -7.098 -5.940 -10.322 1.00 0.00 O ATOM 1393 CB VAL A 97 -7.461 -7.749 -7.887 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -6.036 -8.200 -7.722 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -8.353 -8.315 -6.795 1.00 0.00 C ATOM 0 H VAL A 97 -9.506 -6.599 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.201 -5.714 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.827 -8.147 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.003 -9.288 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.447 -7.866 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.623 -7.773 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.252 -9.400 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.057 -7.899 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.391 -8.052 -7.000 1.00 0.00 H new ATOM 1405 N SER A 98 -5.587 -5.237 -8.846 1.00 0.00 N ATOM 1406 CA SER A 98 -4.596 -4.915 -9.802 1.00 0.00 C ATOM 1407 C SER A 98 -3.285 -5.614 -9.419 1.00 0.00 C ATOM 1408 O SER A 98 -2.806 -5.459 -8.298 1.00 0.00 O ATOM 1409 CB SER A 98 -4.410 -3.408 -9.855 1.00 0.00 C ATOM 1410 OG SER A 98 -5.616 -2.754 -10.242 1.00 0.00 O ATOM 0 H SER A 98 -5.332 -4.992 -7.889 1.00 0.00 H new ATOM 0 HA SER A 98 -4.902 -5.257 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.093 -3.043 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.617 -3.161 -10.561 1.00 0.00 H new ATOM 0 HG SER A 98 -5.740 -1.948 -9.698 1.00 0.00 H new ATOM 1416 N ILE A 99 -2.753 -6.401 -10.333 1.00 0.00 N ATOM 1417 CA ILE A 99 -1.473 -7.102 -10.139 1.00 0.00 C ATOM 1418 C ILE A 99 -0.360 -6.276 -10.725 1.00 0.00 C ATOM 1419 O ILE A 99 -0.599 -5.396 -11.580 1.00 0.00 O ATOM 1420 CB ILE A 99 -1.463 -8.507 -10.814 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -1.581 -8.384 -12.347 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -2.583 -9.377 -10.254 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -1.537 -9.702 -13.080 1.00 0.00 C ATOM 0 H ILE A 99 -3.188 -6.581 -11.238 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.334 -7.241 -9.067 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.510 -8.986 -10.588 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.516 -7.878 -12.588 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.772 -7.751 -12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.561 -10.354 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.446 -9.500 -9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.544 -8.900 -10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.626 -9.525 -14.152 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.591 -10.203 -12.872 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.362 -10.332 -12.746 1.00 0.00 H new ATOM 1435 N GLU A 100 0.832 -6.548 -10.300 1.00 0.00 N ATOM 1436 CA GLU A 100 1.954 -5.739 -10.627 1.00 0.00 C ATOM 1437 C GLU A 100 3.189 -6.518 -10.850 1.00 0.00 C ATOM 1438 O GLU A 100 3.310 -7.673 -10.462 1.00 0.00 O ATOM 1439 CB GLU A 100 2.248 -4.743 -9.569 1.00 0.00 C ATOM 1440 CG GLU A 100 1.242 -3.679 -9.384 1.00 0.00 C ATOM 1441 CD GLU A 100 1.735 -2.711 -8.397 1.00 0.00 C ATOM 1442 OE1 GLU A 100 1.680 -3.034 -7.210 1.00 0.00 O ATOM 1443 OE2 GLU A 100 2.168 -1.629 -8.796 1.00 0.00 O ATOM 0 H GLU A 100 1.053 -7.349 -9.709 1.00 0.00 H new ATOM 0 HA GLU A 100 1.667 -5.242 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.367 -5.272 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.206 -4.275 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.045 -3.180 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.298 -4.109 -9.048 1.00 0.00 H new ATOM 1450 N ASP A 101 4.078 -5.903 -11.532 1.00 0.00 N ATOM 1451 CA ASP A 101 5.385 -6.431 -11.700 1.00 0.00 C ATOM 1452 C ASP A 101 6.183 -6.072 -10.415 1.00 0.00 C ATOM 1453 O ASP A 101 5.702 -5.320 -9.572 1.00 0.00 O ATOM 1454 CB ASP A 101 6.066 -5.891 -12.976 1.00 0.00 C ATOM 1455 CG ASP A 101 7.384 -6.599 -13.308 1.00 0.00 C ATOM 1456 OD1 ASP A 101 8.421 -6.299 -12.693 1.00 0.00 O ATOM 1457 OD2 ASP A 101 7.402 -7.492 -14.186 1.00 0.00 O ATOM 0 H ASP A 101 3.922 -5.008 -11.997 1.00 0.00 H new ATOM 0 HA ASP A 101 5.347 -7.512 -11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.382 -5.999 -13.818 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.256 -4.825 -12.854 1.00 0.00 H new ATOM 1462 N SER A 102 7.331 -6.635 -10.264 1.00 0.00 N ATOM 1463 CA SER A 102 8.161 -6.526 -9.075 1.00 0.00 C ATOM 1464 C SER A 102 8.547 -5.085 -8.662 1.00 0.00 C ATOM 1465 O SER A 102 9.519 -4.517 -9.165 1.00 0.00 O ATOM 1466 CB SER A 102 9.413 -7.373 -9.290 1.00 0.00 C ATOM 1467 OG SER A 102 9.995 -7.135 -10.590 1.00 0.00 O ATOM 0 H SER A 102 7.753 -7.215 -10.989 1.00 0.00 H new ATOM 0 HA SER A 102 7.560 -6.889 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.145 -7.146 -8.515 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.161 -8.429 -9.191 1.00 0.00 H new ATOM 0 HG SER A 102 10.137 -6.173 -10.714 1.00 0.00 H new ATOM 1473 N VAL A 103 7.737 -4.493 -7.802 1.00 0.00 N ATOM 1474 CA VAL A 103 8.044 -3.208 -7.211 1.00 0.00 C ATOM 1475 C VAL A 103 8.187 -3.323 -5.665 1.00 0.00 C ATOM 1476 O VAL A 103 9.106 -2.780 -5.087 1.00 0.00 O ATOM 1477 CB VAL A 103 6.995 -2.124 -7.626 1.00 0.00 C ATOM 1478 CG1 VAL A 103 5.577 -2.490 -7.213 1.00 0.00 C ATOM 1479 CG2 VAL A 103 7.382 -0.767 -7.091 1.00 0.00 C ATOM 0 H VAL A 103 6.849 -4.891 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 103 9.008 -2.880 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 103 7.001 -2.082 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.892 -1.702 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 103 5.291 -3.429 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.531 -2.601 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.637 -0.031 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.433 -0.806 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.356 -0.483 -7.490 1.00 0.00 H new ATOM 1489 N ILE A 104 7.330 -4.157 -5.063 1.00 0.00 N ATOM 1490 CA ILE A 104 7.194 -4.400 -3.588 1.00 0.00 C ATOM 1491 C ILE A 104 8.394 -5.222 -3.019 1.00 0.00 C ATOM 1492 O ILE A 104 8.279 -5.908 -2.008 1.00 0.00 O ATOM 1493 CB ILE A 104 5.816 -5.150 -3.306 1.00 0.00 C ATOM 1494 CG1 ILE A 104 4.653 -4.454 -4.049 1.00 0.00 C ATOM 1495 CG2 ILE A 104 5.473 -5.207 -1.803 1.00 0.00 C ATOM 1496 CD1 ILE A 104 4.403 -3.015 -3.625 1.00 0.00 C ATOM 0 H ILE A 104 6.671 -4.718 -5.603 1.00 0.00 H new ATOM 0 HA ILE A 104 7.200 -3.436 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 104 5.943 -6.169 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.859 -4.473 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.741 -5.030 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.525 -5.728 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 104 6.261 -5.740 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.390 -4.194 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.570 -2.606 -4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.162 -2.985 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.297 -2.420 -3.811 1.00 0.00 H new ATOM 1508 N SER A 105 9.524 -5.145 -3.671 1.00 0.00 N ATOM 1509 CA SER A 105 10.686 -5.865 -3.254 1.00 0.00 C ATOM 1510 C SER A 105 11.204 -5.334 -1.916 1.00 0.00 C ATOM 1511 O SER A 105 11.012 -4.161 -1.572 1.00 0.00 O ATOM 1512 CB SER A 105 11.753 -5.740 -4.351 1.00 0.00 C ATOM 1513 OG SER A 105 11.927 -4.373 -4.749 1.00 0.00 O ATOM 0 H SER A 105 9.659 -4.578 -4.508 1.00 0.00 H new ATOM 0 HA SER A 105 10.438 -6.916 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.700 -6.140 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.463 -6.339 -5.214 1.00 0.00 H new ATOM 0 HG SER A 105 12.613 -4.320 -5.447 1.00 0.00 H new ATOM 1519 N LEU A 106 11.808 -6.192 -1.136 1.00 0.00 N ATOM 1520 CA LEU A 106 12.329 -5.771 0.080 1.00 0.00 C ATOM 1521 C LEU A 106 13.652 -5.120 -0.091 1.00 0.00 C ATOM 1522 O LEU A 106 14.731 -5.715 -0.089 1.00 0.00 O ATOM 1523 CB LEU A 106 12.246 -6.814 1.237 1.00 0.00 C ATOM 1524 CG LEU A 106 12.555 -8.306 0.962 1.00 0.00 C ATOM 1525 CD1 LEU A 106 13.996 -8.556 0.565 1.00 0.00 C ATOM 1526 CD2 LEU A 106 12.202 -9.124 2.188 1.00 0.00 C ATOM 0 H LEU A 106 11.937 -7.182 -1.346 1.00 0.00 H new ATOM 0 HA LEU A 106 11.655 -4.995 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.926 -6.482 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.237 -6.763 1.647 1.00 0.00 H new ATOM 0 HG LEU A 106 11.946 -8.610 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.145 -9.621 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.224 -8.001 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.657 -8.227 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.418 -10.175 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.792 -8.780 3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.142 -9.006 2.411 1.00 0.00 H new ATOM 1538 N SER A 107 13.523 -3.914 -0.347 1.00 0.00 N ATOM 1539 CA SER A 107 14.518 -2.977 -0.346 1.00 0.00 C ATOM 1540 C SER A 107 13.751 -1.790 0.034 1.00 0.00 C ATOM 1541 O SER A 107 13.188 -1.098 -0.785 1.00 0.00 O ATOM 1542 CB SER A 107 15.138 -2.825 -1.745 1.00 0.00 C ATOM 1543 OG SER A 107 15.600 -4.087 -2.217 1.00 0.00 O ATOM 0 H SER A 107 12.617 -3.514 -0.590 1.00 0.00 H new ATOM 0 HA SER A 107 15.365 -3.201 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.400 -2.418 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.966 -2.117 -1.709 1.00 0.00 H new ATOM 0 HG SER A 107 15.500 -4.758 -1.509 1.00 0.00 H new ATOM 1549 N GLY A 108 13.628 -1.650 1.280 1.00 0.00 N ATOM 1550 CA GLY A 108 12.875 -0.599 1.831 1.00 0.00 C ATOM 1551 C GLY A 108 13.706 0.154 2.775 1.00 0.00 C ATOM 1552 O GLY A 108 14.936 0.126 2.682 1.00 0.00 O ATOM 0 H GLY A 108 14.053 -2.271 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.516 0.060 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.996 -0.995 2.339 1.00 0.00 H new ATOM 1556 N ASP A 109 13.086 0.811 3.691 1.00 0.00 N ATOM 1557 CA ASP A 109 13.797 1.589 4.661 1.00 0.00 C ATOM 1558 C ASP A 109 14.046 0.714 5.859 1.00 0.00 C ATOM 1559 O ASP A 109 15.150 0.675 6.409 1.00 0.00 O ATOM 1560 CB ASP A 109 13.001 2.837 5.053 1.00 0.00 C ATOM 1561 CG ASP A 109 13.767 3.728 5.987 1.00 0.00 C ATOM 1562 OD1 ASP A 109 13.701 3.524 7.206 1.00 0.00 O ATOM 1563 OD2 ASP A 109 14.453 4.663 5.513 1.00 0.00 O ATOM 0 H ASP A 109 12.071 0.829 3.795 1.00 0.00 H new ATOM 0 HA ASP A 109 14.743 1.934 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.738 3.395 4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.066 2.536 5.526 1.00 0.00 H new ATOM 1568 N HIS A 110 13.023 -0.011 6.260 1.00 0.00 N ATOM 1569 CA HIS A 110 13.179 -0.959 7.325 1.00 0.00 C ATOM 1570 C HIS A 110 12.884 -2.376 6.856 1.00 0.00 C ATOM 1571 O HIS A 110 13.738 -3.238 7.001 1.00 0.00 O ATOM 1572 CB HIS A 110 12.310 -0.580 8.525 1.00 0.00 C ATOM 1573 CG HIS A 110 12.923 0.426 9.458 1.00 0.00 C ATOM 1574 ND1 HIS A 110 13.164 1.749 9.134 1.00 0.00 N ATOM 1575 CD2 HIS A 110 13.344 0.287 10.737 1.00 0.00 C ATOM 1576 CE1 HIS A 110 13.692 2.356 10.168 1.00 0.00 C ATOM 1577 NE2 HIS A 110 13.808 1.496 11.146 1.00 0.00 N ATOM 0 H HIS A 110 12.085 0.042 5.864 1.00 0.00 H new ATOM 0 HA HIS A 110 14.221 -0.932 7.643 1.00 0.00 H new ATOM 0 HB2 HIS A 110 11.363 -0.184 8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 110 12.081 -1.484 9.089 1.00 0.00 H new ATOM 0 HD1 HIS A 110 12.963 2.183 8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 110 13.316 -0.619 11.324 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.983 3.395 10.206 1.00 0.00 H new ATOM 1586 N SER A 111 11.738 -2.589 6.203 1.00 0.00 N ATOM 1587 CA SER A 111 11.361 -3.904 5.643 1.00 0.00 C ATOM 1588 C SER A 111 9.904 -3.848 5.319 1.00 0.00 C ATOM 1589 O SER A 111 9.227 -2.941 5.758 1.00 0.00 O ATOM 1590 CB SER A 111 11.589 -5.075 6.653 1.00 0.00 C ATOM 1591 OG SER A 111 11.301 -6.346 6.070 1.00 0.00 O ATOM 0 H SER A 111 11.042 -1.861 6.044 1.00 0.00 H new ATOM 0 HA SER A 111 11.983 -4.097 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.623 -5.060 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.958 -4.926 7.529 1.00 0.00 H new ATOM 0 HG SER A 111 11.457 -7.052 6.731 1.00 0.00 H new ATOM 1597 N ILE A 112 9.427 -4.818 4.597 1.00 0.00 N ATOM 1598 CA ILE A 112 8.031 -4.922 4.278 1.00 0.00 C ATOM 1599 C ILE A 112 7.245 -5.327 5.544 1.00 0.00 C ATOM 1600 O ILE A 112 6.272 -4.707 5.903 1.00 0.00 O ATOM 1601 CB ILE A 112 7.820 -6.018 3.178 1.00 0.00 C ATOM 1602 CG1 ILE A 112 8.649 -5.709 1.912 1.00 0.00 C ATOM 1603 CG2 ILE A 112 6.347 -6.211 2.830 1.00 0.00 C ATOM 1604 CD1 ILE A 112 8.309 -4.401 1.235 1.00 0.00 C ATOM 0 H ILE A 112 10.000 -5.567 4.208 1.00 0.00 H new ATOM 0 HA ILE A 112 7.675 -3.960 3.910 1.00 0.00 H new ATOM 0 HB ILE A 112 8.178 -6.958 3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.705 -5.699 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.509 -6.519 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.252 -6.980 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.800 -6.517 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.936 -5.273 2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.942 -4.271 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.263 -4.410 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.477 -3.578 1.929 1.00 0.00 H new ATOM 1616 N ILE A 113 7.739 -6.302 6.257 1.00 0.00 N ATOM 1617 CA ILE A 113 7.003 -6.876 7.385 1.00 0.00 C ATOM 1618 C ILE A 113 6.954 -5.914 8.582 1.00 0.00 C ATOM 1619 O ILE A 113 7.987 -5.465 9.044 1.00 0.00 O ATOM 1620 CB ILE A 113 7.615 -8.251 7.878 1.00 0.00 C ATOM 1621 CG1 ILE A 113 7.685 -9.324 6.764 1.00 0.00 C ATOM 1622 CG2 ILE A 113 6.832 -8.807 9.066 1.00 0.00 C ATOM 1623 CD1 ILE A 113 8.785 -9.123 5.730 1.00 0.00 C ATOM 0 H ILE A 113 8.651 -6.727 6.088 1.00 0.00 H new ATOM 0 HA ILE A 113 5.995 -7.052 7.009 1.00 0.00 H new ATOM 0 HB ILE A 113 8.637 -8.025 8.181 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.823 -10.299 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.725 -9.350 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.274 -9.751 9.383 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.867 -8.095 9.890 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.795 -8.972 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.746 -9.928 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.641 -8.167 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.756 -9.130 6.225 1.00 0.00 H new ATOM 1635 N GLY A 114 5.754 -5.541 9.024 1.00 0.00 N ATOM 1636 CA GLY A 114 5.626 -4.818 10.263 1.00 0.00 C ATOM 1637 C GLY A 114 5.157 -3.437 10.021 1.00 0.00 C ATOM 1638 O GLY A 114 5.004 -2.635 10.945 1.00 0.00 O ATOM 0 H GLY A 114 4.875 -5.730 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.926 -5.334 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.587 -4.795 10.777 1.00 0.00 H new ATOM 1642 N ARG A 115 4.953 -3.136 8.774 1.00 0.00 N ATOM 1643 CA ARG A 115 4.527 -1.839 8.379 1.00 0.00 C ATOM 1644 C ARG A 115 3.006 -1.798 8.317 1.00 0.00 C ATOM 1645 O ARG A 115 2.372 -2.795 8.595 1.00 0.00 O ATOM 1646 CB ARG A 115 5.235 -1.376 7.108 1.00 0.00 C ATOM 1647 CG ARG A 115 6.699 -1.795 7.077 1.00 0.00 C ATOM 1648 CD ARG A 115 7.447 -1.430 8.360 1.00 0.00 C ATOM 1649 NE ARG A 115 8.730 -2.084 8.432 1.00 0.00 N ATOM 1650 CZ ARG A 115 9.341 -2.442 9.564 1.00 0.00 C ATOM 1651 NH1 ARG A 115 8.840 -2.076 10.751 1.00 0.00 N ATOM 1652 NH2 ARG A 115 10.459 -3.153 9.516 1.00 0.00 N ATOM 0 H ARG A 115 5.080 -3.791 8.002 1.00 0.00 H new ATOM 0 HA ARG A 115 4.823 -1.105 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 115 4.723 -1.788 6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 115 5.168 -0.291 7.032 1.00 0.00 H new ATOM 0 HG2 ARG A 115 6.761 -2.872 6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 115 7.190 -1.320 6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 115 7.586 -0.350 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 115 6.846 -1.711 9.225 1.00 0.00 H new ATOM 0 HE ARG A 115 9.206 -2.288 7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 115 7.986 -1.520 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 115 9.312 -2.353 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 115 10.852 -3.426 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 115 10.927 -3.427 10.380 1.00 0.00 H new ATOM 1666 N THR A 116 2.424 -0.651 8.096 1.00 0.00 N ATOM 1667 CA THR A 116 1.012 -0.488 8.159 1.00 0.00 C ATOM 1668 C THR A 116 0.474 0.195 6.876 1.00 0.00 C ATOM 1669 O THR A 116 0.663 1.366 6.726 1.00 0.00 O ATOM 1670 CB THR A 116 0.778 0.417 9.385 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.701 1.529 9.304 1.00 0.00 O ATOM 1672 CG2 THR A 116 1.053 -0.346 10.663 1.00 0.00 C ATOM 0 H THR A 116 2.931 0.203 7.865 1.00 0.00 H new ATOM 0 HA THR A 116 0.495 -1.444 8.240 1.00 0.00 H new ATOM 0 HB THR A 116 -0.256 0.761 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.224 2.328 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.884 0.306 11.520 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.386 -1.206 10.724 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.088 -0.688 10.667 1.00 0.00 H new ATOM 1680 N LEU A 117 -0.158 -0.531 5.933 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.618 0.157 4.699 1.00 0.00 C ATOM 1682 C LEU A 117 -1.855 0.964 4.947 1.00 0.00 C ATOM 1683 O LEU A 117 -2.749 0.524 5.657 1.00 0.00 O ATOM 1684 CB LEU A 117 -0.832 -0.790 3.482 1.00 0.00 C ATOM 1685 CG LEU A 117 -2.230 -1.367 3.161 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -2.139 -2.223 1.926 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -2.770 -2.202 4.275 1.00 0.00 C ATOM 0 H LEU A 117 -0.355 -1.530 5.986 1.00 0.00 H new ATOM 0 HA LEU A 117 0.201 0.824 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.497 -0.252 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.159 -1.637 3.614 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.904 -0.523 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.122 -2.633 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.792 -1.618 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.437 -3.039 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.753 -2.584 4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.096 -3.038 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.855 -1.595 5.176 1.00 0.00 H new ATOM 1699 N VAL A 118 -1.889 2.154 4.403 1.00 0.00 N ATOM 1700 CA VAL A 118 -3.076 2.981 4.513 1.00 0.00 C ATOM 1701 C VAL A 118 -3.955 2.757 3.319 1.00 0.00 C ATOM 1702 O VAL A 118 -3.486 2.830 2.215 1.00 0.00 O ATOM 1703 CB VAL A 118 -2.743 4.503 4.715 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -1.967 5.086 3.540 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -4.004 5.318 4.998 1.00 0.00 C ATOM 0 H VAL A 118 -1.119 2.574 3.883 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.613 2.679 5.412 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.096 4.568 5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.761 6.140 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -1.027 4.548 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.558 4.988 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -3.737 6.366 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.694 5.224 4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -4.482 4.946 5.904 1.00 0.00 H new ATOM 1715 N VAL A 119 -5.192 2.409 3.531 1.00 0.00 N ATOM 1716 CA VAL A 119 -6.047 2.187 2.414 1.00 0.00 C ATOM 1717 C VAL A 119 -7.495 2.534 2.695 1.00 0.00 C ATOM 1718 O VAL A 119 -8.042 2.219 3.754 1.00 0.00 O ATOM 1719 CB VAL A 119 -5.923 0.731 1.837 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -6.367 -0.319 2.832 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -6.670 0.582 0.513 1.00 0.00 C ATOM 0 H VAL A 119 -5.619 2.277 4.448 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.695 2.877 1.647 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.863 0.565 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.263 -1.309 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.748 -0.257 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -7.410 -0.149 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -6.560 -0.439 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -7.727 0.802 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -6.257 1.277 -0.218 1.00 0.00 H new ATOM 1731 N HIS A 120 -8.038 3.281 1.797 1.00 0.00 N ATOM 1732 CA HIS A 120 -9.434 3.460 1.645 1.00 0.00 C ATOM 1733 C HIS A 120 -9.552 3.830 0.217 1.00 0.00 C ATOM 1734 O HIS A 120 -8.578 4.301 -0.351 1.00 0.00 O ATOM 1735 CB HIS A 120 -10.032 4.570 2.562 1.00 0.00 C ATOM 1736 CG HIS A 120 -11.539 4.748 2.395 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -12.142 5.959 2.136 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -12.552 3.842 2.421 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -13.444 5.781 2.004 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -13.717 4.514 2.170 1.00 0.00 N ATOM 0 H HIS A 120 -7.490 3.808 1.117 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.992 2.569 1.932 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.815 4.327 3.602 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -9.536 5.516 2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.455 2.782 2.606 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.166 6.556 1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.646 4.095 2.121 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.626 3.535 -0.392 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.847 3.969 -1.715 1.00 0.00 C ATOM 1751 C GLU A 121 -11.061 5.479 -1.639 1.00 0.00 C ATOM 1752 O GLU A 121 -12.111 5.957 -1.217 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.042 3.237 -2.328 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.032 1.722 -2.090 1.00 0.00 C ATOM 1755 CD GLU A 121 -12.767 1.308 -0.814 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -12.313 1.687 0.307 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -13.781 0.601 -0.917 1.00 0.00 O ATOM 0 H GLU A 121 -11.384 2.983 0.010 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.001 3.745 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.961 3.654 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.060 3.426 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.491 1.223 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.000 1.376 -2.036 1.00 0.00 H new ATOM 1764 N LYS A 122 -10.011 6.213 -1.943 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.980 7.646 -1.760 1.00 0.00 C ATOM 1766 C LYS A 122 -8.740 8.171 -2.485 1.00 0.00 C ATOM 1767 O LYS A 122 -8.025 7.414 -3.079 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.940 7.976 -0.231 1.00 0.00 C ATOM 1769 CG LYS A 122 -10.191 9.433 0.162 1.00 0.00 C ATOM 1770 CD LYS A 122 -11.595 9.883 -0.217 1.00 0.00 C ATOM 1771 CE LYS A 122 -11.891 11.279 0.305 1.00 0.00 C ATOM 1772 NZ LYS A 122 -13.267 11.710 -0.014 1.00 0.00 N ATOM 0 H LYS A 122 -9.149 5.827 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.869 8.124 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.682 7.355 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.964 7.682 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.049 9.550 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.458 10.074 -0.328 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.703 9.868 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.325 9.180 0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.746 11.300 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -11.181 11.985 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.443 12.646 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -13.383 11.764 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.945 11.024 0.375 1.00 0.00 H new ATOM 1786 N ALA A 123 -8.593 9.417 -2.547 1.00 0.00 N ATOM 1787 CA ALA A 123 -7.424 10.043 -3.171 1.00 0.00 C ATOM 1788 C ALA A 123 -6.197 10.153 -2.209 1.00 0.00 C ATOM 1789 O ALA A 123 -6.286 10.730 -1.132 1.00 0.00 O ATOM 1790 CB ALA A 123 -7.788 11.412 -3.718 1.00 0.00 C ATOM 0 H ALA A 123 -9.269 10.083 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 123 -7.121 9.389 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -6.910 11.865 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -8.576 11.308 -4.464 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.140 12.047 -2.905 1.00 0.00 H new ATOM 1796 N ASP A 124 -5.099 9.527 -2.620 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.723 9.588 -2.003 1.00 0.00 C ATOM 1798 C ASP A 124 -2.834 8.980 -3.019 1.00 0.00 C ATOM 1799 O ASP A 124 -3.241 8.010 -3.653 1.00 0.00 O ATOM 1800 CB ASP A 124 -3.644 8.840 -0.594 1.00 0.00 C ATOM 1801 CG ASP A 124 -2.276 8.099 -0.139 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -1.351 7.762 -0.835 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.149 7.541 0.969 1.00 0.00 O ATOM 0 H ASP A 124 -5.117 8.920 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.432 10.611 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.885 9.574 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.437 8.092 -0.581 1.00 0.00 H new ATOM 1808 N ASP A 125 -1.696 9.554 -3.265 1.00 0.00 N ATOM 1809 CA ASP A 125 -0.822 8.993 -4.264 1.00 0.00 C ATOM 1810 C ASP A 125 0.607 9.282 -3.910 1.00 0.00 C ATOM 1811 O ASP A 125 0.899 10.261 -3.221 1.00 0.00 O ATOM 1812 CB ASP A 125 -1.146 9.537 -5.658 1.00 0.00 C ATOM 1813 CG ASP A 125 -0.518 8.706 -6.753 1.00 0.00 C ATOM 1814 OD1 ASP A 125 0.659 8.878 -7.048 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -1.218 7.854 -7.327 1.00 0.00 O ATOM 0 H ASP A 125 -1.350 10.394 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 125 -0.977 7.914 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -2.227 9.560 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -0.793 10.565 -5.736 1.00 0.00 H new ATOM 1820 N LEU A 126 1.469 8.408 -4.325 1.00 0.00 N ATOM 1821 CA LEU A 126 2.886 8.522 -4.061 1.00 0.00 C ATOM 1822 C LEU A 126 3.646 9.272 -5.145 1.00 0.00 C ATOM 1823 O LEU A 126 4.538 10.059 -4.841 1.00 0.00 O ATOM 1824 CB LEU A 126 3.520 7.146 -3.812 1.00 0.00 C ATOM 1825 CG LEU A 126 3.401 6.564 -2.389 1.00 0.00 C ATOM 1826 CD1 LEU A 126 4.215 7.379 -1.408 1.00 0.00 C ATOM 1827 CD2 LEU A 126 1.955 6.481 -1.917 1.00 0.00 C ATOM 0 H LEU A 126 1.214 7.581 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 126 2.970 9.119 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.071 6.436 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.579 7.211 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 126 3.795 5.548 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.117 6.951 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.263 7.367 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.852 8.407 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.924 6.065 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.516 7.479 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.388 5.840 -2.592 1.00 0.00 H new ATOM 1839 N GLY A 127 3.302 9.053 -6.379 1.00 0.00 N ATOM 1840 CA GLY A 127 4.053 9.659 -7.449 1.00 0.00 C ATOM 1841 C GLY A 127 3.403 10.916 -7.937 1.00 0.00 C ATOM 1842 O GLY A 127 4.074 11.880 -8.309 1.00 0.00 O ATOM 0 H GLY A 127 2.519 8.469 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 127 5.063 9.881 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 127 4.146 8.953 -8.274 1.00 0.00 H new ATOM 1846 N LYS A 128 2.108 10.927 -7.906 1.00 0.00 N ATOM 1847 CA LYS A 128 1.342 12.028 -8.397 1.00 0.00 C ATOM 1848 C LYS A 128 0.525 12.617 -7.235 1.00 0.00 C ATOM 1849 O LYS A 128 -0.624 13.034 -7.399 1.00 0.00 O ATOM 1850 CB LYS A 128 0.430 11.514 -9.528 1.00 0.00 C ATOM 1851 CG LYS A 128 -0.189 12.596 -10.408 1.00 0.00 C ATOM 1852 CD LYS A 128 0.875 13.380 -11.167 1.00 0.00 C ATOM 1853 CE LYS A 128 0.241 14.405 -12.080 1.00 0.00 C ATOM 1854 NZ LYS A 128 1.239 15.154 -12.862 1.00 0.00 N ATOM 0 H LYS A 128 1.546 10.162 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 128 1.982 12.815 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 128 1.008 10.840 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.373 10.925 -9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.879 12.138 -11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -0.773 13.278 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 128 1.539 13.878 -10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 128 1.488 12.695 -11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.448 13.905 -12.760 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -0.348 15.103 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.756 15.844 -13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 1.882 15.654 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 1.785 14.494 -13.451 1.00 0.00 H new ATOM 1868 N GLY A 129 1.165 12.711 -6.079 1.00 0.00 N ATOM 1869 CA GLY A 129 0.494 13.176 -4.868 1.00 0.00 C ATOM 1870 C GLY A 129 0.194 14.677 -4.838 1.00 0.00 C ATOM 1871 O GLY A 129 -0.470 15.153 -3.919 1.00 0.00 O ATOM 0 H GLY A 129 2.148 12.472 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.443 12.630 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.114 12.926 -4.007 1.00 0.00 H new ATOM 1875 N GLY A 130 0.687 15.424 -5.813 1.00 0.00 N ATOM 1876 CA GLY A 130 0.389 16.840 -5.851 1.00 0.00 C ATOM 1877 C GLY A 130 1.539 17.685 -6.353 1.00 0.00 C ATOM 1878 O GLY A 130 2.049 17.462 -7.453 1.00 0.00 O ATOM 0 H GLY A 130 1.280 15.082 -6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -0.478 17.004 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.114 17.172 -4.850 1.00 0.00 H new ATOM 1882 N ASN A 131 1.959 18.620 -5.539 1.00 0.00 N ATOM 1883 CA ASN A 131 3.033 19.573 -5.875 1.00 0.00 C ATOM 1884 C ASN A 131 4.306 19.091 -5.239 1.00 0.00 C ATOM 1885 O ASN A 131 4.279 18.037 -4.632 1.00 0.00 O ATOM 1886 CB ASN A 131 2.699 20.977 -5.352 1.00 0.00 C ATOM 1887 CG ASN A 131 1.480 21.592 -5.997 1.00 0.00 C ATOM 1888 OD1 ASN A 131 1.164 21.328 -7.156 1.00 0.00 O ATOM 1889 ND2 ASN A 131 0.782 22.409 -5.256 1.00 0.00 N ATOM 0 H ASN A 131 1.571 18.758 -4.606 1.00 0.00 H new ATOM 0 HA ASN A 131 3.141 19.630 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 131 2.542 20.926 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 131 3.556 21.630 -5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -0.055 22.852 -5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 131 1.074 22.605 -4.298 1.00 0.00 H new ATOM 1896 N GLU A 132 5.402 19.876 -5.324 1.00 0.00 N ATOM 1897 CA GLU A 132 6.725 19.464 -4.794 1.00 0.00 C ATOM 1898 C GLU A 132 6.602 18.890 -3.363 1.00 0.00 C ATOM 1899 O GLU A 132 7.011 17.757 -3.098 1.00 0.00 O ATOM 1900 CB GLU A 132 7.699 20.671 -4.851 1.00 0.00 C ATOM 1901 CG GLU A 132 9.205 20.379 -4.620 1.00 0.00 C ATOM 1902 CD GLU A 132 9.587 20.018 -3.192 1.00 0.00 C ATOM 1903 OE1 GLU A 132 9.500 20.884 -2.310 1.00 0.00 O ATOM 1904 OE2 GLU A 132 10.039 18.874 -2.943 1.00 0.00 O ATOM 0 H GLU A 132 5.399 20.800 -5.755 1.00 0.00 H new ATOM 0 HA GLU A 132 7.127 18.664 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 132 7.593 21.145 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 132 7.378 21.399 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.504 19.562 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 132 9.778 21.256 -4.921 1.00 0.00 H new ATOM 1911 N GLU A 133 5.975 19.637 -2.480 1.00 0.00 N ATOM 1912 CA GLU A 133 5.825 19.209 -1.105 1.00 0.00 C ATOM 1913 C GLU A 133 4.723 18.164 -0.931 1.00 0.00 C ATOM 1914 O GLU A 133 4.912 17.180 -0.209 1.00 0.00 O ATOM 1915 CB GLU A 133 5.589 20.395 -0.177 1.00 0.00 C ATOM 1916 CG GLU A 133 6.742 21.375 -0.150 1.00 0.00 C ATOM 1917 CD GLU A 133 6.518 22.512 0.810 1.00 0.00 C ATOM 1918 OE1 GLU A 133 6.903 22.383 1.994 1.00 0.00 O ATOM 1919 OE2 GLU A 133 5.984 23.561 0.395 1.00 0.00 O ATOM 0 H GLU A 133 5.560 20.545 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 133 6.766 18.734 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 133 4.685 20.917 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 133 5.411 20.027 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 133 7.655 20.847 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 133 6.896 21.776 -1.152 1.00 0.00 H new ATOM 1926 N SER A 134 3.609 18.332 -1.608 1.00 0.00 N ATOM 1927 CA SER A 134 2.483 17.437 -1.428 1.00 0.00 C ATOM 1928 C SER A 134 2.658 16.067 -2.100 1.00 0.00 C ATOM 1929 O SER A 134 2.107 15.090 -1.633 1.00 0.00 O ATOM 1930 CB SER A 134 1.175 18.125 -1.794 1.00 0.00 C ATOM 1931 OG SER A 134 1.330 18.911 -2.958 1.00 0.00 O ATOM 0 H SER A 134 3.457 19.078 -2.287 1.00 0.00 H new ATOM 0 HA SER A 134 2.441 17.202 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.398 17.377 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.845 18.753 -0.967 1.00 0.00 H new ATOM 0 HG SER A 134 0.448 19.147 -3.314 1.00 0.00 H new ATOM 1937 N THR A 135 3.442 15.984 -3.163 1.00 0.00 N ATOM 1938 CA THR A 135 3.701 14.699 -3.780 1.00 0.00 C ATOM 1939 C THR A 135 4.701 13.937 -2.914 1.00 0.00 C ATOM 1940 O THR A 135 4.614 12.722 -2.755 1.00 0.00 O ATOM 1941 CB THR A 135 4.208 14.825 -5.275 1.00 0.00 C ATOM 1942 OG1 THR A 135 4.226 13.538 -5.916 1.00 0.00 O ATOM 1943 CG2 THR A 135 5.609 15.424 -5.373 1.00 0.00 C ATOM 0 H THR A 135 3.902 16.778 -3.608 1.00 0.00 H new ATOM 0 HA THR A 135 2.762 14.148 -3.838 1.00 0.00 H new ATOM 0 HB THR A 135 3.507 15.494 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 135 4.061 13.648 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 135 5.905 15.487 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 135 5.609 16.422 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 135 6.314 14.791 -4.834 1.00 0.00 H new ATOM 1951 N LYS A 136 5.599 14.688 -2.293 1.00 0.00 N ATOM 1952 CA LYS A 136 6.631 14.144 -1.444 1.00 0.00 C ATOM 1953 C LYS A 136 6.023 13.691 -0.120 1.00 0.00 C ATOM 1954 O LYS A 136 6.474 12.717 0.484 1.00 0.00 O ATOM 1955 CB LYS A 136 7.707 15.205 -1.258 1.00 0.00 C ATOM 1956 CG LYS A 136 8.940 14.785 -0.479 1.00 0.00 C ATOM 1957 CD LYS A 136 10.032 15.840 -0.618 1.00 0.00 C ATOM 1958 CE LYS A 136 9.619 17.188 -0.031 1.00 0.00 C ATOM 1959 NZ LYS A 136 10.573 18.259 -0.380 1.00 0.00 N ATOM 0 H LYS A 136 5.626 15.705 -2.370 1.00 0.00 H new ATOM 0 HA LYS A 136 7.091 13.266 -1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.025 15.546 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.259 16.061 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.687 14.649 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 136 9.302 13.825 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.936 15.491 -0.118 1.00 0.00 H new ATOM 0 HD3 LYS A 136 10.279 15.966 -1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.627 17.453 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.548 17.105 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 10.255 19.157 0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.515 18.019 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.622 18.357 -1.414 1.00 0.00 H new ATOM 1973 N THR A 137 4.994 14.401 0.303 1.00 0.00 N ATOM 1974 CA THR A 137 4.230 14.047 1.478 1.00 0.00 C ATOM 1975 C THR A 137 3.249 12.922 1.125 1.00 0.00 C ATOM 1976 O THR A 137 2.962 12.040 1.956 1.00 0.00 O ATOM 1977 CB THR A 137 3.461 15.282 2.007 1.00 0.00 C ATOM 1978 OG1 THR A 137 4.404 16.328 2.319 1.00 0.00 O ATOM 1979 CG2 THR A 137 2.635 14.950 3.248 1.00 0.00 C ATOM 0 H THR A 137 4.665 15.245 -0.165 1.00 0.00 H new ATOM 0 HA THR A 137 4.907 13.702 2.259 1.00 0.00 H new ATOM 0 HB THR A 137 2.771 15.610 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 137 4.703 16.757 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 137 2.111 15.844 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 137 1.909 14.174 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 137 3.295 14.594 4.040 1.00 0.00 H new ATOM 1987 N GLY A 138 2.800 12.927 -0.131 1.00 0.00 N ATOM 1988 CA GLY A 138 1.874 11.949 -0.623 1.00 0.00 C ATOM 1989 C GLY A 138 0.644 11.943 0.207 1.00 0.00 C ATOM 1990 O GLY A 138 0.349 10.911 0.837 1.00 0.00 O ATOM 0 H GLY A 138 3.080 13.619 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.620 12.168 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 138 2.335 10.962 -0.609 1.00 0.00 H new ATOM 1994 N ASN A 139 -0.049 13.113 0.230 1.00 0.00 N ATOM 1995 CA ASN A 139 -1.244 13.368 1.081 1.00 0.00 C ATOM 1996 C ASN A 139 -2.109 12.143 1.215 1.00 0.00 C ATOM 1997 O ASN A 139 -2.827 11.750 0.295 1.00 0.00 O ATOM 1998 CB ASN A 139 -2.072 14.568 0.572 1.00 0.00 C ATOM 1999 CG ASN A 139 -1.351 15.908 0.701 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -0.122 15.989 0.628 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -2.100 16.964 0.899 1.00 0.00 N ATOM 0 H ASN A 139 0.209 13.914 -0.347 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.868 13.622 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -2.330 14.403 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -3.009 14.614 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -1.669 17.883 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -3.114 16.867 0.955 1.00 0.00 H new ATOM 2008 N ALA A 140 -2.032 11.549 2.373 1.00 0.00 N ATOM 2009 CA ALA A 140 -2.606 10.265 2.624 1.00 0.00 C ATOM 2010 C ALA A 140 -3.895 10.367 3.370 1.00 0.00 C ATOM 2011 O ALA A 140 -4.257 11.448 3.837 1.00 0.00 O ATOM 2012 CB ALA A 140 -1.614 9.433 3.433 1.00 0.00 C ATOM 0 H ALA A 140 -1.559 11.954 3.181 1.00 0.00 H new ATOM 0 HA ALA A 140 -2.817 9.791 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -2.041 8.450 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -0.688 9.320 2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.404 9.935 4.378 1.00 0.00 H new ATOM 2018 N GLY A 141 -4.602 9.234 3.463 1.00 0.00 N ATOM 2019 CA GLY A 141 -5.719 9.155 4.314 1.00 0.00 C ATOM 2020 C GLY A 141 -5.212 9.331 5.687 1.00 0.00 C ATOM 2021 O GLY A 141 -4.025 9.029 5.951 1.00 0.00 O ATOM 0 H GLY A 141 -4.394 8.379 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -6.449 9.926 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -6.222 8.194 4.206 1.00 0.00 H new ATOM 2025 N SER A 142 -6.029 9.792 6.531 1.00 0.00 N ATOM 2026 CA SER A 142 -5.729 10.103 7.898 1.00 0.00 C ATOM 2027 C SER A 142 -5.154 8.917 8.755 1.00 0.00 C ATOM 2028 O SER A 142 -5.009 9.061 9.973 1.00 0.00 O ATOM 2029 CB SER A 142 -6.959 10.758 8.478 1.00 0.00 C ATOM 2030 OG SER A 142 -8.118 10.218 7.826 1.00 0.00 O ATOM 0 H SER A 142 -7.001 9.984 6.291 1.00 0.00 H new ATOM 0 HA SER A 142 -4.885 10.792 7.929 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.012 10.579 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 142 -6.914 11.838 8.337 1.00 0.00 H new ATOM 0 HG SER A 142 -8.925 10.634 8.195 1.00 0.00 H new ATOM 2036 N ARG A 143 -4.825 7.786 8.100 1.00 0.00 N ATOM 2037 CA ARG A 143 -4.245 6.621 8.700 1.00 0.00 C ATOM 2038 C ARG A 143 -5.232 6.048 9.622 1.00 0.00 C ATOM 2039 O ARG A 143 -4.914 5.252 10.505 1.00 0.00 O ATOM 2040 CB ARG A 143 -2.922 6.953 9.418 1.00 0.00 C ATOM 2041 CG ARG A 143 -1.908 7.691 8.553 1.00 0.00 C ATOM 2042 CD ARG A 143 -1.726 9.124 9.028 1.00 0.00 C ATOM 2043 NE ARG A 143 -1.251 9.169 10.420 1.00 0.00 N ATOM 2044 CZ ARG A 143 -0.984 10.287 11.109 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -1.138 11.482 10.542 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -0.582 10.201 12.370 1.00 0.00 N ATOM 0 H ARG A 143 -4.972 7.679 7.096 1.00 0.00 H new ATOM 0 HA ARG A 143 -3.995 5.893 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -3.141 7.559 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -2.472 6.026 9.774 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -0.951 7.170 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -2.240 7.688 7.515 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -1.013 9.636 8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -2.672 9.659 8.947 1.00 0.00 H new ATOM 0 HE ARG A 143 -1.114 8.279 10.898 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -1.461 11.551 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -0.933 12.329 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -0.477 9.287 12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -0.377 11.049 12.899 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.481 6.449 9.393 1.00 0.00 N ATOM 2061 CA LEU A 144 -7.589 6.078 10.199 1.00 0.00 C ATOM 2062 C LEU A 144 -7.856 4.678 9.960 1.00 0.00 C ATOM 2063 O LEU A 144 -8.285 3.941 10.846 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.843 6.883 9.881 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.833 8.369 10.221 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.197 8.977 9.940 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -8.429 8.605 11.673 1.00 0.00 C ATOM 0 H LEU A 144 -6.733 7.058 8.614 1.00 0.00 H new ATOM 0 HA LEU A 144 -7.338 6.276 11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.044 6.784 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.680 6.424 10.407 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.091 8.857 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -10.180 10.039 10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.440 8.853 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.951 8.476 10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.432 9.675 11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -9.137 8.104 12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.429 8.205 11.842 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.605 4.307 8.762 1.00 0.00 N ATOM 2080 CA ALA A 145 -7.705 3.018 8.374 1.00 0.00 C ATOM 2081 C ALA A 145 -6.384 2.590 7.844 1.00 0.00 C ATOM 2082 O ALA A 145 -6.096 2.784 6.649 1.00 0.00 O ATOM 2083 CB ALA A 145 -8.806 2.835 7.330 1.00 0.00 C ATOM 0 H ALA A 145 -7.315 4.945 8.021 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.980 2.398 9.227 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -8.860 1.786 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -9.762 3.145 7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -8.582 3.444 6.454 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.526 2.065 8.742 1.00 0.00 N ATOM 2090 CA CYS A 146 -4.328 1.434 8.287 1.00 0.00 C ATOM 2091 C CYS A 146 -3.557 0.722 9.382 1.00 0.00 C ATOM 2092 O CYS A 146 -3.321 1.267 10.440 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.420 2.479 7.659 1.00 0.00 C ATOM 2094 SG CYS A 146 -2.653 3.687 8.756 1.00 0.00 S ATOM 0 H CYS A 146 -5.657 2.077 9.753 1.00 0.00 H new ATOM 0 HA CYS A 146 -4.635 0.676 7.566 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -2.625 1.957 7.126 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -4.000 3.023 6.913 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.240 -0.519 9.146 1.00 0.00 N ATOM 2100 CA GLY A 147 -2.196 -1.158 9.829 1.00 0.00 C ATOM 2101 C GLY A 147 -2.027 -2.549 9.343 1.00 0.00 C ATOM 2102 O GLY A 147 -2.455 -3.463 10.027 1.00 0.00 O ATOM 0 H GLY A 147 -3.716 -1.107 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -1.269 -0.603 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -2.404 -1.164 10.899 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.395 -2.740 8.183 1.00 0.00 N ATOM 2107 CA VAL A 148 -0.995 -4.060 7.744 1.00 0.00 C ATOM 2108 C VAL A 148 -0.113 -4.100 6.463 1.00 0.00 C ATOM 2109 O VAL A 148 -0.598 -3.969 5.360 1.00 0.00 O ATOM 2110 CB VAL A 148 -2.135 -5.067 7.683 1.00 0.00 C ATOM 2111 CG1 VAL A 148 -3.179 -4.633 6.669 1.00 0.00 C ATOM 2112 CG2 VAL A 148 -1.575 -6.464 7.436 1.00 0.00 C ATOM 0 H VAL A 148 -1.153 -1.989 7.536 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.336 -4.383 8.550 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.655 -5.105 8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -3.985 -5.366 6.640 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.582 -3.661 6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -2.720 -4.560 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -2.394 -7.182 7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -1.032 -6.476 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.899 -6.733 8.247 1.00 0.00 H new ATOM 2122 N ILE A 149 1.110 -4.165 6.612 1.00 0.00 N ATOM 2123 CA ILE A 149 1.995 -4.474 5.518 1.00 0.00 C ATOM 2124 C ILE A 149 2.767 -5.642 5.980 1.00 0.00 C ATOM 2125 O ILE A 149 3.627 -5.500 6.876 1.00 0.00 O ATOM 2126 CB ILE A 149 2.988 -3.323 5.119 1.00 0.00 C ATOM 2127 CG1 ILE A 149 2.302 -2.150 4.433 1.00 0.00 C ATOM 2128 CG2 ILE A 149 4.074 -3.846 4.179 1.00 0.00 C ATOM 2129 CD1 ILE A 149 1.909 -2.440 2.987 1.00 0.00 C ATOM 0 H ILE A 149 1.582 -4.009 7.502 1.00 0.00 H new ATOM 0 HA ILE A 149 1.401 -4.644 4.620 1.00 0.00 H new ATOM 0 HB ILE A 149 3.418 -2.972 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.409 -1.880 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.967 -1.286 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 149 4.750 -3.033 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 149 4.635 -4.638 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.612 -4.241 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.425 -1.562 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.801 -2.681 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 149 1.220 -3.284 2.960 1.00 0.00 H new ATOM 2141 N GLY A 150 2.438 -6.790 5.523 1.00 0.00 N ATOM 2142 CA GLY A 150 3.252 -7.855 5.906 1.00 0.00 C ATOM 2143 C GLY A 150 3.033 -9.038 5.108 1.00 0.00 C ATOM 2144 O GLY A 150 1.920 -9.303 4.668 1.00 0.00 O ATOM 0 H GLY A 150 1.649 -7.003 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 150 4.297 -7.556 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.067 -8.089 6.954 1.00 0.00 H new ATOM 2148 N ILE A 151 4.097 -9.777 4.902 1.00 0.00 N ATOM 2149 CA ILE A 151 3.989 -11.056 4.277 1.00 0.00 C ATOM 2150 C ILE A 151 3.908 -12.097 5.384 1.00 0.00 C ATOM 2151 O ILE A 151 4.888 -12.363 6.087 1.00 0.00 O ATOM 2152 CB ILE A 151 5.136 -11.341 3.199 1.00 0.00 C ATOM 2153 CG1 ILE A 151 4.935 -12.682 2.403 1.00 0.00 C ATOM 2154 CG2 ILE A 151 6.543 -11.249 3.776 1.00 0.00 C ATOM 2155 CD1 ILE A 151 5.112 -13.980 3.184 1.00 0.00 C ATOM 0 H ILE A 151 5.045 -9.506 5.162 1.00 0.00 H new ATOM 0 HA ILE A 151 3.082 -11.097 3.674 1.00 0.00 H new ATOM 0 HB ILE A 151 5.032 -10.530 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 151 3.932 -12.677 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 151 5.636 -12.690 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 151 7.272 -11.453 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.709 -10.248 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.657 -11.980 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 151 4.947 -14.829 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.123 -14.027 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 151 4.393 -14.013 4.002 1.00 0.00 H new ATOM 2167 N ALA A 152 2.726 -12.616 5.579 1.00 0.00 N ATOM 2168 CA ALA A 152 2.497 -13.624 6.576 1.00 0.00 C ATOM 2169 C ALA A 152 1.690 -14.750 5.976 1.00 0.00 C ATOM 2170 O ALA A 152 0.476 -14.613 5.786 1.00 0.00 O ATOM 2171 CB ALA A 152 1.783 -13.033 7.789 1.00 0.00 C ATOM 0 H ALA A 152 1.895 -12.351 5.050 1.00 0.00 H new ATOM 0 HA ALA A 152 3.457 -14.015 6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 152 1.620 -13.814 8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 152 2.396 -12.243 8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 152 0.823 -12.620 7.480 1.00 0.00 H new ATOM 2177 N GLN A 153 2.386 -15.808 5.607 1.00 0.00 N ATOM 2178 CA GLN A 153 1.816 -17.016 5.047 1.00 0.00 C ATOM 2179 C GLN A 153 2.989 -17.951 4.824 1.00 0.00 C ATOM 2180 O GLN A 153 3.153 -18.916 5.594 1.00 0.00 O ATOM 2181 CB GLN A 153 1.046 -16.723 3.720 1.00 0.00 C ATOM 2182 CG GLN A 153 0.086 -17.828 3.242 1.00 0.00 C ATOM 2183 CD GLN A 153 0.754 -19.054 2.642 1.00 0.00 C ATOM 2184 OE1 GLN A 153 1.817 -18.976 2.018 1.00 0.00 O ATOM 2185 NE2 GLN A 153 0.133 -20.190 2.810 1.00 0.00 N ATOM 2186 OXT GLN A 153 3.847 -17.631 3.967 1.00 0.00 O ATOM 0 H GLN A 153 3.402 -15.850 5.693 1.00 0.00 H new ATOM 0 HA GLN A 153 1.078 -17.460 5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 153 0.475 -15.803 3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 153 1.776 -16.537 2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 153 -0.526 -18.145 4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 153 -0.590 -17.403 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 153 -0.744 -20.220 3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 153 0.524 -21.048 2.421 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -1.068 6.621 0.263 1.00 0.00 CU