USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 485 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 53 HIS : no HD1:sc= -0.547! C(o=-3!,f=-8.5!) USER MOD Set 1.2: A 56 ASN :FLIP amide:sc= -2.41! F(o=-3.6,f=-3!) USER MOD Set 2.1: A 5 THR OG1 : rot -63:sc= 0.43 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0.405 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.55! C(o=-3.5!,f=-15!) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0119) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.446 K(o=-0.45,f=-3.2!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -7.72! C(o=-7.7!,f=-9.9!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.933 USER MOD Single : A 29 CYS SG : rot -90:sc= -1.76! USER MOD Single : A 30 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.9) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.02) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 128:sc= -0.0849 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 0.884 (180deg=0.394) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -14:sc= 0.621 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.1) USER MOD Single : A 60 THR OG1 : rot -90:sc= 0.198 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.0867 USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0673 USER MOD Single : A 66 HIS : no HE2:sc= 0.942 K(o=0.94,f=-5.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 5.821 -6.610 9.425 1.00 10.00 N ATOM 12 CA ASP A 2 7.209 -6.241 9.198 1.00 10.00 C ATOM 13 C ASP A 2 7.537 -6.395 7.712 1.00 10.00 C ATOM 14 O ASP A 2 8.576 -6.948 7.356 1.00 10.00 O ATOM 15 CB ASP A 2 8.155 -7.148 9.987 1.00 10.00 C ATOM 16 CG ASP A 2 8.368 -6.744 11.448 1.00 10.00 C ATOM 17 OD1 ASP A 2 7.421 -6.948 12.237 1.00 10.00 O ATOM 18 OD2 ASP A 2 9.474 -6.241 11.742 1.00 10.00 O ATOM 0 HA ASP A 2 7.342 -5.209 9.524 1.00 10.00 H new ATOM 0 HB2 ASP A 2 7.765 -8.166 9.960 1.00 10.00 H new ATOM 0 HB3 ASP A 2 9.122 -7.164 9.485 1.00 10.00 H new ATOM 23 N VAL A 3 6.629 -5.896 6.884 1.00 10.00 N ATOM 24 CA VAL A 3 6.809 -5.972 5.444 1.00 10.00 C ATOM 25 C VAL A 3 6.327 -7.336 4.945 1.00 10.00 C ATOM 26 O VAL A 3 6.946 -8.360 5.233 1.00 10.00 O ATOM 27 CB VAL A 3 8.269 -5.684 5.083 1.00 10.00 C ATOM 28 CG1 VAL A 3 8.405 -5.319 3.604 1.00 10.00 C ATOM 29 CG2 VAL A 3 8.848 -4.584 5.976 1.00 10.00 C ATOM 0 H VAL A 3 5.768 -5.438 7.183 1.00 10.00 H new ATOM 0 HA VAL A 3 6.209 -5.212 4.943 1.00 10.00 H new ATOM 0 HB VAL A 3 8.844 -6.593 5.258 1.00 10.00 H new ATOM 0 HG11 VAL A 3 9.451 -5.119 3.373 1.00 10.00 H new ATOM 0 HG12 VAL A 3 8.050 -6.147 2.991 1.00 10.00 H new ATOM 0 HG13 VAL A 3 7.811 -4.430 3.392 1.00 10.00 H new ATOM 0 HG21 VAL A 3 9.886 -4.399 5.699 1.00 10.00 H new ATOM 0 HG22 VAL A 3 8.269 -3.669 5.848 1.00 10.00 H new ATOM 0 HG23 VAL A 3 8.802 -4.899 7.018 1.00 10.00 H new ATOM 39 N VAL A 4 5.229 -7.305 4.205 1.00 10.00 N ATOM 40 CA VAL A 4 4.657 -8.525 3.664 1.00 10.00 C ATOM 41 C VAL A 4 4.969 -8.610 2.168 1.00 10.00 C ATOM 42 O VAL A 4 5.089 -7.587 1.496 1.00 10.00 O ATOM 43 CB VAL A 4 3.159 -8.581 3.965 1.00 10.00 C ATOM 44 CG1 VAL A 4 2.643 -10.021 3.923 1.00 10.00 C ATOM 45 CG2 VAL A 4 2.846 -7.926 5.311 1.00 10.00 C ATOM 0 H VAL A 4 4.720 -6.453 3.967 1.00 10.00 H new ATOM 0 HA VAL A 4 5.103 -9.398 4.140 1.00 10.00 H new ATOM 0 HB VAL A 4 2.641 -8.018 3.189 1.00 10.00 H new ATOM 0 HG11 VAL A 4 1.575 -10.031 4.141 1.00 10.00 H new ATOM 0 HG12 VAL A 4 2.815 -10.441 2.932 1.00 10.00 H new ATOM 0 HG13 VAL A 4 3.171 -10.618 4.667 1.00 10.00 H new ATOM 0 HG21 VAL A 4 1.774 -7.979 5.501 1.00 10.00 H new ATOM 0 HG22 VAL A 4 3.381 -8.449 6.103 1.00 10.00 H new ATOM 0 HG23 VAL A 4 3.159 -6.882 5.289 1.00 10.00 H new ATOM 55 N THR A 5 5.093 -9.840 1.690 1.00 10.00 N ATOM 56 CA THR A 5 5.390 -10.072 0.287 1.00 10.00 C ATOM 57 C THR A 5 4.246 -10.838 -0.380 1.00 10.00 C ATOM 58 O THR A 5 3.930 -11.959 0.018 1.00 10.00 O ATOM 59 CB THR A 5 6.737 -10.792 0.201 1.00 10.00 C ATOM 60 OG1 THR A 5 7.695 -9.768 0.454 1.00 10.00 O ATOM 61 CG2 THR A 5 7.060 -11.261 -1.220 1.00 10.00 C ATOM 0 H THR A 5 4.993 -10.687 2.250 1.00 10.00 H new ATOM 0 HA THR A 5 5.473 -9.133 -0.261 1.00 10.00 H new ATOM 0 HB THR A 5 6.734 -11.649 0.875 1.00 10.00 H new ATOM 0 HG1 THR A 5 7.643 -9.090 -0.251 1.00 10.00 H new ATOM 0 HG21 THR A 5 8.026 -11.766 -1.226 1.00 10.00 H new ATOM 0 HG22 THR A 5 6.288 -11.951 -1.560 1.00 10.00 H new ATOM 0 HG23 THR A 5 7.096 -10.400 -1.888 1.00 10.00 H new ATOM 69 N TYR A 6 3.658 -10.205 -1.383 1.00 10.00 N ATOM 70 CA TYR A 6 2.556 -10.814 -2.110 1.00 10.00 C ATOM 71 C TYR A 6 3.022 -11.346 -3.467 1.00 10.00 C ATOM 72 O TYR A 6 4.024 -10.884 -4.008 1.00 10.00 O ATOM 73 CB TYR A 6 1.533 -9.700 -2.337 1.00 10.00 C ATOM 74 CG TYR A 6 0.358 -9.724 -1.356 1.00 10.00 C ATOM 75 CD1 TYR A 6 0.567 -9.434 -0.022 1.00 10.00 C ATOM 76 CD2 TYR A 6 -0.909 -10.038 -1.804 1.00 10.00 C ATOM 77 CE1 TYR A 6 -0.538 -9.457 0.901 1.00 10.00 C ATOM 78 CE2 TYR A 6 -2.013 -10.061 -0.881 1.00 10.00 C ATOM 79 CZ TYR A 6 -1.774 -9.769 0.426 1.00 10.00 C ATOM 80 OH TYR A 6 -2.818 -9.791 1.298 1.00 10.00 O ATOM 0 H TYR A 6 3.923 -9.276 -1.710 1.00 10.00 H new ATOM 0 HA TYR A 6 2.143 -11.652 -1.549 1.00 10.00 H new ATOM 0 HB2 TYR A 6 2.037 -8.737 -2.260 1.00 10.00 H new ATOM 0 HB3 TYR A 6 1.146 -9.777 -3.353 1.00 10.00 H new ATOM 0 HD1 TYR A 6 1.559 -9.190 0.329 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.072 -10.266 -2.847 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -0.389 -9.232 1.947 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.009 -10.305 -1.219 1.00 10.00 H new ATOM 0 HH TYR A 6 -3.639 -10.028 0.819 1.00 10.00 H new ATOM 90 N GLU A 7 2.271 -12.312 -3.977 1.00 10.00 N ATOM 91 CA GLU A 7 2.594 -12.912 -5.260 1.00 10.00 C ATOM 92 C GLU A 7 1.330 -13.060 -6.110 1.00 10.00 C ATOM 93 O GLU A 7 0.256 -13.349 -5.586 1.00 10.00 O ATOM 94 CB GLU A 7 3.290 -14.261 -5.074 1.00 10.00 C ATOM 95 CG GLU A 7 4.804 -14.083 -4.942 1.00 10.00 C ATOM 96 CD GLU A 7 5.554 -15.170 -5.717 1.00 10.00 C ATOM 97 OE1 GLU A 7 5.634 -15.030 -6.957 1.00 10.00 O ATOM 98 OE2 GLU A 7 6.030 -16.115 -5.051 1.00 10.00 O ATOM 0 H GLU A 7 1.440 -12.694 -3.525 1.00 10.00 H new ATOM 0 HA GLU A 7 3.286 -12.252 -5.784 1.00 10.00 H new ATOM 0 HB2 GLU A 7 2.900 -14.756 -4.185 1.00 10.00 H new ATOM 0 HB3 GLU A 7 3.069 -14.908 -5.923 1.00 10.00 H new ATOM 0 HG2 GLU A 7 5.092 -13.100 -5.316 1.00 10.00 H new ATOM 0 HG3 GLU A 7 5.088 -14.120 -3.890 1.00 10.00 H new ATOM 105 N ASN A 8 1.501 -12.854 -7.408 1.00 10.00 N ATOM 106 CA ASN A 8 0.387 -12.962 -8.335 1.00 10.00 C ATOM 107 C ASN A 8 0.918 -13.340 -9.720 1.00 10.00 C ATOM 108 O ASN A 8 2.118 -13.538 -9.895 1.00 10.00 O ATOM 109 CB ASN A 8 -0.354 -11.629 -8.461 1.00 10.00 C ATOM 110 CG ASN A 8 0.629 -10.464 -8.591 1.00 10.00 C ATOM 111 OD1 ASN A 8 1.260 -10.261 -9.616 1.00 10.00 O ATOM 112 ND2 ASN A 8 0.726 -9.714 -7.498 1.00 10.00 N ATOM 0 H ASN A 8 2.393 -12.613 -7.839 1.00 10.00 H new ATOM 0 HA ASN A 8 -0.297 -13.721 -7.955 1.00 10.00 H new ATOM 0 HB2 ASN A 8 -1.010 -11.655 -9.331 1.00 10.00 H new ATOM 0 HB3 ASN A 8 -0.989 -11.478 -7.588 1.00 10.00 H new ATOM 0 HD21 ASN A 8 1.357 -8.913 -7.483 1.00 10.00 H new ATOM 0 HD22 ASN A 8 0.169 -9.939 -6.674 1.00 10.00 H new ATOM 119 N LYS A 9 -0.005 -13.431 -10.667 1.00 10.00 N ATOM 120 CA LYS A 9 0.354 -13.782 -12.030 1.00 10.00 C ATOM 121 C LYS A 9 0.578 -12.503 -12.840 1.00 10.00 C ATOM 122 O LYS A 9 0.310 -12.470 -14.040 1.00 10.00 O ATOM 123 CB LYS A 9 -0.694 -14.718 -12.636 1.00 10.00 C ATOM 124 CG LYS A 9 -0.584 -16.124 -12.040 1.00 10.00 C ATOM 125 CD LYS A 9 -1.855 -16.932 -12.303 1.00 10.00 C ATOM 126 CE LYS A 9 -1.869 -17.484 -13.729 1.00 10.00 C ATOM 127 NZ LYS A 9 -1.013 -18.687 -13.828 1.00 10.00 N ATOM 0 H LYS A 9 -1.001 -13.268 -10.517 1.00 10.00 H new ATOM 0 HA LYS A 9 1.292 -14.338 -12.046 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.692 -14.319 -12.454 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -0.562 -14.766 -13.717 1.00 10.00 H new ATOM 0 HG2 LYS A 9 0.274 -16.639 -12.471 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -0.408 -16.055 -10.966 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -1.921 -17.754 -11.590 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -2.730 -16.302 -12.145 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -2.890 -17.732 -14.019 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -1.517 -16.722 -14.424 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -1.113 -19.107 -14.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -0.020 -18.420 -13.671 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -1.303 -19.380 -13.109 1.00 10.00 H new ATOM 141 N LYS A 10 1.067 -11.483 -12.151 1.00 10.00 N ATOM 142 CA LYS A 10 1.329 -10.205 -12.792 1.00 10.00 C ATOM 143 C LYS A 10 2.208 -9.351 -11.875 1.00 10.00 C ATOM 144 O LYS A 10 1.806 -8.267 -11.459 1.00 10.00 O ATOM 145 CB LYS A 10 0.017 -9.526 -13.192 1.00 10.00 C ATOM 146 CG LYS A 10 0.017 -9.169 -14.680 1.00 10.00 C ATOM 147 CD LYS A 10 -1.410 -9.088 -15.224 1.00 10.00 C ATOM 148 CE LYS A 10 -1.844 -10.427 -15.824 1.00 10.00 C ATOM 149 NZ LYS A 10 -2.409 -10.230 -17.178 1.00 10.00 N ATOM 0 H LYS A 10 1.289 -11.515 -11.156 1.00 10.00 H new ATOM 0 HA LYS A 10 1.881 -10.351 -13.720 1.00 10.00 H new ATOM 0 HB2 LYS A 10 -0.821 -10.188 -12.973 1.00 10.00 H new ATOM 0 HB3 LYS A 10 -0.126 -8.624 -12.598 1.00 10.00 H new ATOM 0 HG2 LYS A 10 0.521 -8.214 -14.829 1.00 10.00 H new ATOM 0 HG3 LYS A 10 0.581 -9.917 -15.237 1.00 10.00 H new ATOM 0 HD2 LYS A 10 -2.093 -8.806 -14.423 1.00 10.00 H new ATOM 0 HD3 LYS A 10 -1.470 -8.308 -15.983 1.00 10.00 H new ATOM 0 HE2 LYS A 10 -0.991 -11.103 -15.875 1.00 10.00 H new ATOM 0 HE3 LYS A 10 -2.586 -10.898 -15.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 -2.698 -11.149 -17.570 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 -3.236 -9.602 -17.121 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 -1.690 -9.801 -17.795 1.00 10.00 H new ATOM 163 N GLY A 11 3.391 -9.873 -11.589 1.00 10.00 N ATOM 164 CA GLY A 11 4.330 -9.173 -10.730 1.00 10.00 C ATOM 165 C GLY A 11 4.075 -9.501 -9.257 1.00 10.00 C ATOM 166 O GLY A 11 3.639 -10.602 -8.929 1.00 10.00 O ATOM 0 H GLY A 11 3.721 -10.773 -11.937 1.00 10.00 H new ATOM 0 HA2 GLY A 11 5.350 -9.451 -10.997 1.00 10.00 H new ATOM 0 HA3 GLY A 11 4.241 -8.098 -10.888 1.00 10.00 H new ATOM 170 N ASN A 12 4.360 -8.523 -8.409 1.00 10.00 N ATOM 171 CA ASN A 12 4.167 -8.693 -6.979 1.00 10.00 C ATOM 172 C ASN A 12 4.242 -7.329 -6.291 1.00 10.00 C ATOM 173 O ASN A 12 4.924 -6.425 -6.772 1.00 10.00 O ATOM 174 CB ASN A 12 5.255 -9.586 -6.378 1.00 10.00 C ATOM 175 CG ASN A 12 6.639 -9.186 -6.896 1.00 10.00 C ATOM 176 OD1 ASN A 12 6.931 -9.256 -8.079 1.00 10.00 O ATOM 177 ND2 ASN A 12 7.470 -8.766 -5.948 1.00 10.00 N ATOM 0 H ASN A 12 4.723 -7.611 -8.685 1.00 10.00 H new ATOM 0 HA ASN A 12 3.193 -9.157 -6.824 1.00 10.00 H new ATOM 0 HB2 ASN A 12 5.234 -9.510 -5.291 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.056 -10.628 -6.629 1.00 10.00 H new ATOM 0 HD21 ASN A 12 8.417 -8.477 -6.192 1.00 10.00 H new ATOM 0 HD22 ASN A 12 7.160 -8.732 -4.977 1.00 10.00 H new ATOM 184 N VAL A 13 3.532 -7.222 -5.178 1.00 10.00 N ATOM 185 CA VAL A 13 3.510 -5.983 -4.420 1.00 10.00 C ATOM 186 C VAL A 13 3.927 -6.266 -2.976 1.00 10.00 C ATOM 187 O VAL A 13 3.105 -6.675 -2.158 1.00 10.00 O ATOM 188 CB VAL A 13 2.131 -5.328 -4.527 1.00 10.00 C ATOM 189 CG1 VAL A 13 1.031 -6.292 -4.079 1.00 10.00 C ATOM 190 CG2 VAL A 13 2.078 -4.026 -3.727 1.00 10.00 C ATOM 0 H VAL A 13 2.967 -7.974 -4.783 1.00 10.00 H new ATOM 0 HA VAL A 13 4.226 -5.271 -4.831 1.00 10.00 H new ATOM 0 HB VAL A 13 1.957 -5.084 -5.575 1.00 10.00 H new ATOM 0 HG11 VAL A 13 0.061 -5.802 -4.165 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.046 -7.180 -4.711 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.201 -6.581 -3.042 1.00 10.00 H new ATOM 0 HG21 VAL A 13 1.087 -3.582 -3.820 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.284 -4.235 -2.677 1.00 10.00 H new ATOM 0 HG23 VAL A 13 2.825 -3.332 -4.112 1.00 10.00 H new ATOM 200 N THR A 14 5.204 -6.036 -2.706 1.00 10.00 N ATOM 201 CA THR A 14 5.739 -6.261 -1.375 1.00 10.00 C ATOM 202 C THR A 14 5.339 -5.119 -0.439 1.00 10.00 C ATOM 203 O THR A 14 6.097 -4.167 -0.256 1.00 10.00 O ATOM 204 CB THR A 14 7.253 -6.444 -1.498 1.00 10.00 C ATOM 205 OG1 THR A 14 7.412 -7.821 -1.826 1.00 10.00 O ATOM 206 CG2 THR A 14 7.973 -6.295 -0.157 1.00 10.00 C ATOM 0 H THR A 14 5.883 -5.696 -3.387 1.00 10.00 H new ATOM 0 HA THR A 14 5.323 -7.165 -0.930 1.00 10.00 H new ATOM 0 HB THR A 14 7.649 -5.715 -2.205 1.00 10.00 H new ATOM 0 HG1 THR A 14 8.365 -8.026 -1.926 1.00 10.00 H new ATOM 0 HG21 THR A 14 9.044 -6.434 -0.302 1.00 10.00 H new ATOM 0 HG22 THR A 14 7.788 -5.300 0.247 1.00 10.00 H new ATOM 0 HG23 THR A 14 7.601 -7.045 0.541 1.00 10.00 H new ATOM 214 N PHE A 15 4.150 -5.251 0.130 1.00 10.00 N ATOM 215 CA PHE A 15 3.641 -4.242 1.043 1.00 10.00 C ATOM 216 C PHE A 15 4.699 -3.853 2.076 1.00 10.00 C ATOM 217 O PHE A 15 5.676 -4.575 2.272 1.00 10.00 O ATOM 218 CB PHE A 15 2.441 -4.858 1.766 1.00 10.00 C ATOM 219 CG PHE A 15 1.200 -5.020 0.886 1.00 10.00 C ATOM 220 CD1 PHE A 15 0.760 -3.977 0.132 1.00 10.00 C ATOM 221 CD2 PHE A 15 0.535 -6.206 0.859 1.00 10.00 C ATOM 222 CE1 PHE A 15 -0.392 -4.126 -0.684 1.00 10.00 C ATOM 223 CE2 PHE A 15 -0.616 -6.356 0.042 1.00 10.00 C ATOM 224 CZ PHE A 15 -1.056 -5.313 -0.712 1.00 10.00 C ATOM 0 H PHE A 15 3.524 -6.042 -0.024 1.00 10.00 H new ATOM 0 HA PHE A 15 3.366 -3.344 0.489 1.00 10.00 H new ATOM 0 HB2 PHE A 15 2.727 -5.835 2.156 1.00 10.00 H new ATOM 0 HB3 PHE A 15 2.187 -4.234 2.623 1.00 10.00 H new ATOM 0 HD1 PHE A 15 1.287 -3.035 0.154 1.00 10.00 H new ATOM 0 HD2 PHE A 15 0.883 -7.034 1.459 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.741 -3.297 -1.282 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -1.143 -7.299 0.019 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.932 -5.427 -1.333 1.00 10.00 H new ATOM 234 N ASP A 16 4.470 -2.712 2.710 1.00 10.00 N ATOM 235 CA ASP A 16 5.392 -2.218 3.719 1.00 10.00 C ATOM 236 C ASP A 16 4.631 -1.970 5.021 1.00 10.00 C ATOM 237 O ASP A 16 3.587 -1.319 5.021 1.00 10.00 O ATOM 238 CB ASP A 16 6.027 -0.895 3.283 1.00 10.00 C ATOM 239 CG ASP A 16 7.151 -1.026 2.253 1.00 10.00 C ATOM 240 OD1 ASP A 16 6.950 -1.795 1.288 1.00 10.00 O ATOM 241 OD2 ASP A 16 8.186 -0.354 2.454 1.00 10.00 O ATOM 0 H ASP A 16 3.659 -2.115 2.544 1.00 10.00 H new ATOM 0 HA ASP A 16 6.173 -2.965 3.857 1.00 10.00 H new ATOM 0 HB2 ASP A 16 5.248 -0.254 2.869 1.00 10.00 H new ATOM 0 HB3 ASP A 16 6.420 -0.390 4.165 1.00 10.00 H new ATOM 246 N HIS A 17 5.183 -2.502 6.103 1.00 10.00 N ATOM 247 CA HIS A 17 4.568 -2.347 7.410 1.00 10.00 C ATOM 248 C HIS A 17 5.518 -1.584 8.337 1.00 10.00 C ATOM 249 O HIS A 17 5.144 -0.565 8.913 1.00 10.00 O ATOM 250 CB HIS A 17 4.148 -3.703 7.978 1.00 10.00 C ATOM 251 CG HIS A 17 2.797 -3.696 8.652 1.00 10.00 C ATOM 252 ND1 HIS A 17 2.637 -3.889 10.013 1.00 10.00 N ATOM 253 CD2 HIS A 17 1.545 -3.514 8.139 1.00 10.00 C ATOM 254 CE1 HIS A 17 1.344 -3.827 10.295 1.00 10.00 C ATOM 255 NE2 HIS A 17 0.669 -3.595 9.133 1.00 10.00 N ATOM 0 H HIS A 17 6.049 -3.041 6.100 1.00 10.00 H new ATOM 0 HA HIS A 17 3.655 -1.759 7.318 1.00 10.00 H new ATOM 0 HB2 HIS A 17 4.136 -4.435 7.171 1.00 10.00 H new ATOM 0 HB3 HIS A 17 4.899 -4.033 8.696 1.00 10.00 H new ATOM 0 HD2 HIS A 17 1.308 -3.335 7.101 1.00 10.00 H new ATOM 0 HE1 HIS A 17 0.902 -3.940 11.274 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -0.342 -3.499 9.043 1.00 10.00 H new ATOM 263 N LYS A 18 6.730 -2.110 8.450 1.00 10.00 N ATOM 264 CA LYS A 18 7.737 -1.492 9.297 1.00 10.00 C ATOM 265 C LYS A 18 8.481 -0.421 8.498 1.00 10.00 C ATOM 266 O LYS A 18 8.784 0.651 9.021 1.00 10.00 O ATOM 267 CB LYS A 18 8.653 -2.556 9.902 1.00 10.00 C ATOM 268 CG LYS A 18 8.597 -2.524 11.430 1.00 10.00 C ATOM 269 CD LYS A 18 9.747 -1.693 12.004 1.00 10.00 C ATOM 270 CE LYS A 18 9.352 -1.059 13.339 1.00 10.00 C ATOM 271 NZ LYS A 18 9.679 -1.967 14.461 1.00 10.00 N ATOM 0 H LYS A 18 7.037 -2.956 7.970 1.00 10.00 H new ATOM 0 HA LYS A 18 7.268 -0.990 10.143 1.00 10.00 H new ATOM 0 HB2 LYS A 18 8.356 -3.542 9.544 1.00 10.00 H new ATOM 0 HB3 LYS A 18 9.678 -2.391 9.569 1.00 10.00 H new ATOM 0 HG2 LYS A 18 7.644 -2.105 11.754 1.00 10.00 H new ATOM 0 HG3 LYS A 18 8.648 -3.540 11.821 1.00 10.00 H new ATOM 0 HD2 LYS A 18 10.624 -2.326 12.143 1.00 10.00 H new ATOM 0 HD3 LYS A 18 10.026 -0.913 11.295 1.00 10.00 H new ATOM 0 HE2 LYS A 18 9.874 -0.111 13.467 1.00 10.00 H new ATOM 0 HE3 LYS A 18 8.285 -0.838 13.342 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 9.404 -1.521 15.360 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 9.161 -2.862 14.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 10.701 -2.157 14.467 1.00 10.00 H new ATOM 285 N ALA A 19 8.753 -0.747 7.243 1.00 10.00 N ATOM 286 CA ALA A 19 9.457 0.175 6.366 1.00 10.00 C ATOM 287 C ALA A 19 8.602 1.425 6.156 1.00 10.00 C ATOM 288 O ALA A 19 9.131 2.519 5.966 1.00 10.00 O ATOM 289 CB ALA A 19 9.795 -0.530 5.051 1.00 10.00 C ATOM 0 H ALA A 19 8.499 -1.636 6.812 1.00 10.00 H new ATOM 0 HA ALA A 19 10.398 0.492 6.816 1.00 10.00 H new ATOM 0 HB1 ALA A 19 10.323 0.161 4.393 1.00 10.00 H new ATOM 0 HB2 ALA A 19 10.428 -1.394 5.254 1.00 10.00 H new ATOM 0 HB3 ALA A 19 8.875 -0.860 4.568 1.00 10.00 H new ATOM 295 N HIS A 20 7.293 1.221 6.194 1.00 10.00 N ATOM 296 CA HIS A 20 6.358 2.319 6.010 1.00 10.00 C ATOM 297 C HIS A 20 6.072 2.981 7.358 1.00 10.00 C ATOM 298 O HIS A 20 6.211 4.195 7.500 1.00 10.00 O ATOM 299 CB HIS A 20 5.088 1.838 5.303 1.00 10.00 C ATOM 300 CG HIS A 20 5.148 1.940 3.798 1.00 10.00 C ATOM 301 ND1 HIS A 20 6.320 1.779 3.081 1.00 10.00 N ATOM 302 CD2 HIS A 20 4.168 2.186 2.882 1.00 10.00 C ATOM 303 CE1 HIS A 20 6.047 1.925 1.793 1.00 10.00 C ATOM 304 NE2 HIS A 20 4.712 2.178 1.672 1.00 10.00 N ATOM 0 H HIS A 20 6.858 0.312 6.349 1.00 10.00 H new ATOM 0 HA HIS A 20 6.801 3.074 5.361 1.00 10.00 H new ATOM 0 HB2 HIS A 20 4.901 0.800 5.580 1.00 10.00 H new ATOM 0 HB3 HIS A 20 4.241 2.421 5.663 1.00 10.00 H new ATOM 0 HD2 HIS A 20 3.125 2.358 3.104 1.00 10.00 H new ATOM 0 HE1 HIS A 20 6.756 1.856 0.982 1.00 10.00 H new ATOM 0 HE2 HIS A 20 4.214 2.335 0.796 1.00 10.00 H new ATOM 312 N ALA A 21 5.677 2.154 8.316 1.00 10.00 N ATOM 313 CA ALA A 21 5.370 2.645 9.648 1.00 10.00 C ATOM 314 C ALA A 21 6.365 3.744 10.025 1.00 10.00 C ATOM 315 O ALA A 21 6.028 4.664 10.769 1.00 10.00 O ATOM 316 CB ALA A 21 5.386 1.479 10.639 1.00 10.00 C ATOM 0 H ALA A 21 5.563 1.148 8.195 1.00 10.00 H new ATOM 0 HA ALA A 21 4.372 3.082 9.674 1.00 10.00 H new ATOM 0 HB1 ALA A 21 5.156 1.848 11.639 1.00 10.00 H new ATOM 0 HB2 ALA A 21 4.641 0.740 10.344 1.00 10.00 H new ATOM 0 HB3 ALA A 21 6.373 1.017 10.641 1.00 10.00 H new ATOM 322 N GLU A 22 7.572 3.612 9.493 1.00 10.00 N ATOM 323 CA GLU A 22 8.620 4.582 9.764 1.00 10.00 C ATOM 324 C GLU A 22 8.136 5.994 9.425 1.00 10.00 C ATOM 325 O GLU A 22 8.253 6.906 10.241 1.00 10.00 O ATOM 326 CB GLU A 22 9.897 4.240 8.994 1.00 10.00 C ATOM 327 CG GLU A 22 10.344 2.806 9.285 1.00 10.00 C ATOM 328 CD GLU A 22 11.803 2.770 9.744 1.00 10.00 C ATOM 329 OE1 GLU A 22 12.678 2.970 8.874 1.00 10.00 O ATOM 330 OE2 GLU A 22 12.010 2.542 10.956 1.00 10.00 O ATOM 0 H GLU A 22 7.847 2.848 8.876 1.00 10.00 H new ATOM 0 HA GLU A 22 8.856 4.545 10.827 1.00 10.00 H new ATOM 0 HB2 GLU A 22 9.725 4.361 7.925 1.00 10.00 H new ATOM 0 HB3 GLU A 22 10.690 4.935 9.270 1.00 10.00 H new ATOM 0 HG2 GLU A 22 9.706 2.371 10.054 1.00 10.00 H new ATOM 0 HG3 GLU A 22 10.225 2.195 8.390 1.00 10.00 H new ATOM 337 N LYS A 23 7.603 6.129 8.219 1.00 10.00 N ATOM 338 CA LYS A 23 7.102 7.413 7.763 1.00 10.00 C ATOM 339 C LYS A 23 5.597 7.492 8.028 1.00 10.00 C ATOM 340 O LYS A 23 5.129 8.407 8.703 1.00 10.00 O ATOM 341 CB LYS A 23 7.482 7.647 6.300 1.00 10.00 C ATOM 342 CG LYS A 23 9.001 7.722 6.132 1.00 10.00 C ATOM 343 CD LYS A 23 9.425 9.078 5.565 1.00 10.00 C ATOM 344 CE LYS A 23 10.945 9.160 5.419 1.00 10.00 C ATOM 345 NZ LYS A 23 11.533 9.928 6.540 1.00 10.00 N ATOM 0 H LYS A 23 7.508 5.370 7.545 1.00 10.00 H new ATOM 0 HA LYS A 23 7.567 8.224 8.323 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.084 6.841 5.684 1.00 10.00 H new ATOM 0 HB3 LYS A 23 7.028 8.572 5.946 1.00 10.00 H new ATOM 0 HG2 LYS A 23 9.485 7.559 7.095 1.00 10.00 H new ATOM 0 HG3 LYS A 23 9.337 6.925 5.468 1.00 10.00 H new ATOM 0 HD2 LYS A 23 8.954 9.234 4.594 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.076 9.876 6.221 1.00 10.00 H new ATOM 0 HE2 LYS A 23 11.369 8.156 5.397 1.00 10.00 H new ATOM 0 HE3 LYS A 23 11.200 9.635 4.472 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 12.566 9.974 6.425 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 11.142 10.892 6.544 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 11.305 9.459 7.440 1.00 10.00 H new ATOM 359 N LEU A 24 4.881 6.521 7.480 1.00 10.00 N ATOM 360 CA LEU A 24 3.439 6.468 7.649 1.00 10.00 C ATOM 361 C LEU A 24 3.091 6.727 9.117 1.00 10.00 C ATOM 362 O LEU A 24 2.919 7.875 9.524 1.00 10.00 O ATOM 363 CB LEU A 24 2.884 5.148 7.109 1.00 10.00 C ATOM 364 CG LEU A 24 2.868 4.999 5.587 1.00 10.00 C ATOM 365 CD1 LEU A 24 4.286 4.825 5.038 1.00 10.00 C ATOM 366 CD2 LEU A 24 1.943 3.860 5.156 1.00 10.00 C ATOM 0 H LEU A 24 5.273 5.765 6.919 1.00 10.00 H new ATOM 0 HA LEU A 24 2.958 7.252 7.064 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.472 4.331 7.528 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.865 5.028 7.477 1.00 10.00 H new ATOM 0 HG LEU A 24 2.467 5.918 5.159 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.246 4.721 3.954 1.00 10.00 H new ATOM 0 HD12 LEU A 24 4.886 5.697 5.297 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.737 3.932 5.472 1.00 10.00 H new ATOM 0 HD21 LEU A 24 1.951 3.776 4.069 1.00 10.00 H new ATOM 0 HD22 LEU A 24 2.290 2.924 5.594 1.00 10.00 H new ATOM 0 HD23 LEU A 24 0.928 4.066 5.497 1.00 10.00 H new ATOM 378 N GLY A 25 2.999 5.641 9.870 1.00 10.00 N ATOM 379 CA GLY A 25 2.676 5.737 11.283 1.00 10.00 C ATOM 380 C GLY A 25 1.406 4.949 11.609 1.00 10.00 C ATOM 381 O GLY A 25 0.628 5.347 12.476 1.00 10.00 O ATOM 0 H GLY A 25 3.142 4.691 9.528 1.00 10.00 H new ATOM 0 HA2 GLY A 25 3.507 5.356 11.877 1.00 10.00 H new ATOM 0 HA3 GLY A 25 2.540 6.783 11.559 1.00 10.00 H new ATOM 385 N CYS A 26 1.232 3.845 10.897 1.00 10.00 N ATOM 386 CA CYS A 26 0.070 2.998 11.100 1.00 10.00 C ATOM 387 C CYS A 26 -1.176 3.788 10.696 1.00 10.00 C ATOM 388 O CYS A 26 -1.747 3.554 9.633 1.00 10.00 O ATOM 389 CB CYS A 26 -0.017 2.491 12.541 1.00 10.00 C ATOM 390 SG CYS A 26 1.580 2.432 13.431 1.00 10.00 S ATOM 0 H CYS A 26 1.877 3.518 10.178 1.00 10.00 H new ATOM 0 HA CYS A 26 0.153 2.108 10.477 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -0.703 3.131 13.096 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -0.450 1.491 12.534 1.00 10.00 H new ATOM 0 HG CYS A 26 1.388 1.991 14.639 1.00 10.00 H new ATOM 395 N ASP A 27 -1.562 4.708 11.568 1.00 10.00 N ATOM 396 CA ASP A 27 -2.730 5.535 11.317 1.00 10.00 C ATOM 397 C ASP A 27 -2.785 5.894 9.830 1.00 10.00 C ATOM 398 O ASP A 27 -3.857 5.888 9.226 1.00 10.00 O ATOM 399 CB ASP A 27 -2.665 6.838 12.115 1.00 10.00 C ATOM 400 CG ASP A 27 -2.773 6.672 13.633 1.00 10.00 C ATOM 401 OD1 ASP A 27 -2.746 5.505 14.080 1.00 10.00 O ATOM 402 OD2 ASP A 27 -2.879 7.717 14.311 1.00 10.00 O ATOM 0 H ASP A 27 -1.086 4.899 12.450 1.00 10.00 H new ATOM 0 HA ASP A 27 -3.613 4.971 11.619 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -1.726 7.341 11.885 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -3.468 7.493 11.778 1.00 10.00 H new ATOM 407 N ALA A 28 -1.617 6.197 9.284 1.00 10.00 N ATOM 408 CA ALA A 28 -1.518 6.557 7.880 1.00 10.00 C ATOM 409 C ALA A 28 -2.455 5.667 7.062 1.00 10.00 C ATOM 410 O ALA A 28 -2.965 6.083 6.024 1.00 10.00 O ATOM 411 CB ALA A 28 -0.062 6.446 7.424 1.00 10.00 C ATOM 0 H ALA A 28 -0.731 6.201 9.789 1.00 10.00 H new ATOM 0 HA ALA A 28 -1.828 7.591 7.727 1.00 10.00 H new ATOM 0 HB1 ALA A 28 0.011 6.716 6.371 1.00 10.00 H new ATOM 0 HB2 ALA A 28 0.557 7.121 8.015 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.285 5.422 7.561 1.00 10.00 H new ATOM 417 N CYS A 29 -2.652 4.456 7.561 1.00 10.00 N ATOM 418 CA CYS A 29 -3.518 3.501 6.890 1.00 10.00 C ATOM 419 C CYS A 29 -4.670 3.150 7.834 1.00 10.00 C ATOM 420 O CYS A 29 -5.826 3.461 7.551 1.00 10.00 O ATOM 421 CB CYS A 29 -2.749 2.257 6.440 1.00 10.00 C ATOM 422 SG CYS A 29 -0.955 2.513 6.191 1.00 10.00 S ATOM 0 H CYS A 29 -2.227 4.114 8.423 1.00 10.00 H new ATOM 0 HA CYS A 29 -3.919 3.948 5.980 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -2.890 1.471 7.182 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -3.183 1.896 5.508 1.00 10.00 H new ATOM 0 HG CYS A 29 -0.734 2.868 4.960 1.00 10.00 H new ATOM 427 N HIS A 30 -4.315 2.507 8.936 1.00 10.00 N ATOM 428 CA HIS A 30 -5.303 2.110 9.923 1.00 10.00 C ATOM 429 C HIS A 30 -5.876 3.355 10.605 1.00 10.00 C ATOM 430 O HIS A 30 -5.564 4.479 10.216 1.00 10.00 O ATOM 431 CB HIS A 30 -4.708 1.111 10.918 1.00 10.00 C ATOM 432 CG HIS A 30 -4.010 -0.059 10.268 1.00 10.00 C ATOM 433 ND1 HIS A 30 -4.647 -1.260 10.003 1.00 10.00 N ATOM 434 CD2 HIS A 30 -2.725 -0.202 9.833 1.00 10.00 C ATOM 435 CE1 HIS A 30 -3.775 -2.079 9.434 1.00 10.00 C ATOM 436 NE2 HIS A 30 -2.584 -1.422 9.331 1.00 10.00 N ATOM 0 H HIS A 30 -3.355 2.251 9.167 1.00 10.00 H new ATOM 0 HA HIS A 30 -6.127 1.595 9.430 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -3.999 1.632 11.561 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -5.504 0.735 11.560 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -1.953 0.551 9.888 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -3.972 -3.090 9.109 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -1.726 -1.805 8.934 1.00 10.00 H new ATOM 444 N GLU A 31 -6.705 3.111 11.609 1.00 10.00 N ATOM 445 CA GLU A 31 -7.324 4.199 12.349 1.00 10.00 C ATOM 446 C GLU A 31 -7.928 3.676 13.654 1.00 10.00 C ATOM 447 O GLU A 31 -8.953 2.996 13.639 1.00 10.00 O ATOM 448 CB GLU A 31 -8.382 4.906 11.500 1.00 10.00 C ATOM 449 CG GLU A 31 -8.206 6.425 11.559 1.00 10.00 C ATOM 450 CD GLU A 31 -9.559 7.129 11.685 1.00 10.00 C ATOM 451 OE1 GLU A 31 -10.369 6.972 10.746 1.00 10.00 O ATOM 452 OE2 GLU A 31 -9.752 7.807 12.717 1.00 10.00 O ATOM 0 H GLU A 31 -6.963 2.177 11.928 1.00 10.00 H new ATOM 0 HA GLU A 31 -6.554 4.930 12.595 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -8.310 4.568 10.466 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -9.377 4.637 11.855 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -7.574 6.689 12.407 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -7.694 6.771 10.661 1.00 10.00 H new ATOM 459 N GLY A 32 -7.268 4.013 14.751 1.00 10.00 N ATOM 460 CA GLY A 32 -7.727 3.587 16.063 1.00 10.00 C ATOM 461 C GLY A 32 -7.954 2.075 16.099 1.00 10.00 C ATOM 462 O GLY A 32 -8.973 1.583 15.616 1.00 10.00 O ATOM 0 H GLY A 32 -6.418 4.577 14.759 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -6.992 3.866 16.818 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -8.653 4.104 16.314 1.00 10.00 H new ATOM 466 N THR A 33 -6.986 1.376 16.676 1.00 10.00 N ATOM 467 CA THR A 33 -7.067 -0.070 16.780 1.00 10.00 C ATOM 468 C THR A 33 -7.223 -0.698 15.394 1.00 10.00 C ATOM 469 O THR A 33 -8.307 -0.666 14.813 1.00 10.00 O ATOM 470 CB THR A 33 -8.213 -0.411 17.735 1.00 10.00 C ATOM 471 OG1 THR A 33 -7.835 0.201 18.965 1.00 10.00 O ATOM 472 CG2 THR A 33 -8.275 -1.904 18.065 1.00 10.00 C ATOM 0 H THR A 33 -6.142 1.786 17.076 1.00 10.00 H new ATOM 0 HA THR A 33 -6.148 -0.489 17.189 1.00 10.00 H new ATOM 0 HB THR A 33 -9.159 -0.097 17.293 1.00 10.00 H new ATOM 0 HG1 THR A 33 -8.524 0.031 19.641 1.00 10.00 H new ATOM 0 HG21 THR A 33 -9.105 -2.092 18.746 1.00 10.00 H new ATOM 0 HG22 THR A 33 -8.422 -2.474 17.147 1.00 10.00 H new ATOM 0 HG23 THR A 33 -7.342 -2.211 18.537 1.00 10.00 H new ATOM 480 N PRO A 34 -6.096 -1.269 14.892 1.00 10.00 N ATOM 481 CA PRO A 34 -6.098 -1.904 13.585 1.00 10.00 C ATOM 482 C PRO A 34 -6.804 -3.260 13.634 1.00 10.00 C ATOM 483 O PRO A 34 -7.583 -3.525 14.549 1.00 10.00 O ATOM 484 CB PRO A 34 -4.632 -2.012 13.198 1.00 10.00 C ATOM 485 CG PRO A 34 -3.847 -1.862 14.491 1.00 10.00 C ATOM 486 CD PRO A 34 -4.795 -1.326 15.552 1.00 10.00 C ATOM 0 HA PRO A 34 -6.652 -1.332 12.841 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -4.423 -2.971 12.723 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -4.359 -1.236 12.483 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -3.432 -2.822 14.799 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -3.007 -1.182 14.351 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -4.822 -1.978 16.425 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -4.484 -0.341 15.900 1.00 10.00 H new ATOM 494 N ALA A 35 -6.508 -4.083 12.639 1.00 10.00 N ATOM 495 CA ALA A 35 -7.105 -5.404 12.557 1.00 10.00 C ATOM 496 C ALA A 35 -6.862 -5.984 11.162 1.00 10.00 C ATOM 497 O ALA A 35 -6.464 -7.140 11.027 1.00 10.00 O ATOM 498 CB ALA A 35 -8.594 -5.315 12.900 1.00 10.00 C ATOM 0 H ALA A 35 -5.862 -3.860 11.882 1.00 10.00 H new ATOM 0 HA ALA A 35 -6.644 -6.078 13.279 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -9.042 -6.307 12.838 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -8.712 -4.926 13.911 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -9.091 -4.648 12.195 1.00 10.00 H new ATOM 504 N LYS A 36 -7.111 -5.154 10.159 1.00 10.00 N ATOM 505 CA LYS A 36 -6.925 -5.570 8.779 1.00 10.00 C ATOM 506 C LYS A 36 -7.247 -4.398 7.850 1.00 10.00 C ATOM 507 O LYS A 36 -7.626 -3.323 8.311 1.00 10.00 O ATOM 508 CB LYS A 36 -7.740 -6.831 8.485 1.00 10.00 C ATOM 509 CG LYS A 36 -9.142 -6.472 7.986 1.00 10.00 C ATOM 510 CD LYS A 36 -9.285 -6.773 6.493 1.00 10.00 C ATOM 511 CE LYS A 36 -9.863 -8.171 6.267 1.00 10.00 C ATOM 512 NZ LYS A 36 -9.961 -8.465 4.820 1.00 10.00 N ATOM 0 H LYS A 36 -7.440 -4.195 10.275 1.00 10.00 H new ATOM 0 HA LYS A 36 -5.885 -5.842 8.600 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -7.227 -7.434 7.736 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -7.815 -7.439 9.387 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -9.887 -7.035 8.547 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -9.337 -5.415 8.168 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -9.932 -6.029 6.029 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -8.312 -6.696 6.008 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -9.231 -8.915 6.753 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -10.849 -8.241 6.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -10.355 -9.418 4.685 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -10.582 -7.766 4.365 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -9.015 -8.418 4.391 1.00 10.00 H new ATOM 526 N ILE A 37 -7.083 -4.645 6.559 1.00 10.00 N ATOM 527 CA ILE A 37 -7.351 -3.624 5.561 1.00 10.00 C ATOM 528 C ILE A 37 -8.074 -4.258 4.371 1.00 10.00 C ATOM 529 O ILE A 37 -7.948 -5.457 4.131 1.00 10.00 O ATOM 530 CB ILE A 37 -6.061 -2.896 5.180 1.00 10.00 C ATOM 531 CG1 ILE A 37 -5.460 -2.176 6.390 1.00 10.00 C ATOM 532 CG2 ILE A 37 -6.295 -1.943 4.006 1.00 10.00 C ATOM 533 CD1 ILE A 37 -4.554 -1.025 5.949 1.00 10.00 C ATOM 0 H ILE A 37 -6.768 -5.538 6.181 1.00 10.00 H new ATOM 0 HA ILE A 37 -8.013 -2.859 5.966 1.00 10.00 H new ATOM 0 HB ILE A 37 -5.334 -3.639 4.852 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -6.260 -1.792 7.023 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -4.889 -2.883 6.992 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -5.362 -1.438 3.756 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.645 -2.509 3.142 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.045 -1.202 4.283 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -4.140 -0.530 6.828 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.742 -1.416 5.336 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -5.134 -0.308 5.368 1.00 10.00 H new ATOM 545 N ALA A 38 -8.816 -3.423 3.658 1.00 10.00 N ATOM 546 CA ALA A 38 -9.559 -3.887 2.498 1.00 10.00 C ATOM 547 C ALA A 38 -8.704 -3.701 1.242 1.00 10.00 C ATOM 548 O ALA A 38 -8.878 -2.731 0.507 1.00 10.00 O ATOM 549 CB ALA A 38 -10.890 -3.139 2.413 1.00 10.00 C ATOM 0 H ALA A 38 -8.919 -2.429 3.861 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.787 -4.949 2.587 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -11.448 -3.486 1.543 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -11.471 -3.327 3.316 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -10.701 -2.070 2.319 1.00 10.00 H new ATOM 555 N ILE A 39 -7.801 -4.647 1.036 1.00 10.00 N ATOM 556 CA ILE A 39 -6.919 -4.601 -0.118 1.00 10.00 C ATOM 557 C ILE A 39 -7.428 -5.574 -1.184 1.00 10.00 C ATOM 558 O ILE A 39 -7.656 -6.748 -0.899 1.00 10.00 O ATOM 559 CB ILE A 39 -5.470 -4.854 0.304 1.00 10.00 C ATOM 560 CG1 ILE A 39 -4.889 -3.637 1.025 1.00 10.00 C ATOM 561 CG2 ILE A 39 -4.616 -5.274 -0.893 1.00 10.00 C ATOM 562 CD1 ILE A 39 -4.651 -2.483 0.048 1.00 10.00 C ATOM 0 H ILE A 39 -7.661 -5.450 1.649 1.00 10.00 H new ATOM 0 HA ILE A 39 -6.928 -3.606 -0.564 1.00 10.00 H new ATOM 0 HB ILE A 39 -5.460 -5.682 1.012 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.571 -3.317 1.813 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -3.950 -3.909 1.507 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -3.591 -5.448 -0.566 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -5.019 -6.190 -1.324 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -4.628 -4.484 -1.644 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.238 -1.630 0.586 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -3.950 -2.799 -0.725 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -5.596 -2.197 -0.414 1.00 10.00 H new ATOM 574 N ASP A 40 -7.591 -5.048 -2.389 1.00 10.00 N ATOM 575 CA ASP A 40 -8.070 -5.856 -3.499 1.00 10.00 C ATOM 576 C ASP A 40 -8.265 -4.964 -4.726 1.00 10.00 C ATOM 577 O ASP A 40 -8.330 -3.741 -4.605 1.00 10.00 O ATOM 578 CB ASP A 40 -9.415 -6.505 -3.168 1.00 10.00 C ATOM 579 CG ASP A 40 -9.459 -8.025 -3.338 1.00 10.00 C ATOM 580 OD1 ASP A 40 -9.353 -8.469 -4.502 1.00 10.00 O ATOM 581 OD2 ASP A 40 -9.595 -8.709 -2.301 1.00 10.00 O ATOM 0 H ASP A 40 -7.400 -4.073 -2.621 1.00 10.00 H new ATOM 0 HA ASP A 40 -7.332 -6.635 -3.692 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -9.675 -6.262 -2.138 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -10.182 -6.061 -3.803 1.00 10.00 H new ATOM 586 N LYS A 41 -8.352 -5.610 -5.880 1.00 10.00 N ATOM 587 CA LYS A 41 -8.539 -4.890 -7.128 1.00 10.00 C ATOM 588 C LYS A 41 -9.515 -3.734 -6.904 1.00 10.00 C ATOM 589 O LYS A 41 -10.494 -3.875 -6.172 1.00 10.00 O ATOM 590 CB LYS A 41 -8.965 -5.849 -8.241 1.00 10.00 C ATOM 591 CG LYS A 41 -7.783 -6.698 -8.715 1.00 10.00 C ATOM 592 CD LYS A 41 -8.268 -7.958 -9.437 1.00 10.00 C ATOM 593 CE LYS A 41 -7.391 -8.266 -10.651 1.00 10.00 C ATOM 594 NZ LYS A 41 -7.941 -7.620 -11.865 1.00 10.00 N ATOM 0 H LYS A 41 -8.296 -6.624 -5.977 1.00 10.00 H new ATOM 0 HA LYS A 41 -7.598 -4.452 -7.460 1.00 10.00 H new ATOM 0 HB2 LYS A 41 -9.763 -6.499 -7.881 1.00 10.00 H new ATOM 0 HB3 LYS A 41 -9.370 -5.282 -9.079 1.00 10.00 H new ATOM 0 HG2 LYS A 41 -7.154 -6.111 -9.384 1.00 10.00 H new ATOM 0 HG3 LYS A 41 -7.166 -6.978 -7.861 1.00 10.00 H new ATOM 0 HD2 LYS A 41 -8.253 -8.804 -8.749 1.00 10.00 H new ATOM 0 HD3 LYS A 41 -9.302 -7.824 -9.755 1.00 10.00 H new ATOM 0 HE2 LYS A 41 -6.375 -7.913 -10.472 1.00 10.00 H new ATOM 0 HE3 LYS A 41 -7.332 -9.344 -10.800 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 -7.334 -7.839 -12.680 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 -8.902 -7.977 -12.043 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 -7.975 -6.590 -11.725 1.00 10.00 H new ATOM 608 N LYS A 42 -9.217 -2.616 -7.550 1.00 10.00 N ATOM 609 CA LYS A 42 -10.057 -1.437 -7.430 1.00 10.00 C ATOM 610 C LYS A 42 -9.600 -0.610 -6.227 1.00 10.00 C ATOM 611 O LYS A 42 -9.192 0.541 -6.379 1.00 10.00 O ATOM 612 CB LYS A 42 -11.534 -1.833 -7.379 1.00 10.00 C ATOM 613 CG LYS A 42 -12.385 -0.891 -8.233 1.00 10.00 C ATOM 614 CD LYS A 42 -13.875 -1.208 -8.081 1.00 10.00 C ATOM 615 CE LYS A 42 -14.721 0.059 -8.215 1.00 10.00 C ATOM 616 NZ LYS A 42 -15.088 0.290 -9.630 1.00 10.00 N ATOM 0 H LYS A 42 -8.406 -2.502 -8.158 1.00 10.00 H new ATOM 0 HA LYS A 42 -9.951 -0.804 -8.311 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -11.652 -2.857 -7.733 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -11.885 -1.810 -6.347 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -12.197 0.142 -7.939 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -12.095 -0.982 -9.280 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -14.176 -1.932 -8.838 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -14.055 -1.669 -7.110 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -15.623 -0.033 -7.610 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -14.166 0.916 -7.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -15.662 1.154 -9.703 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -14.224 0.399 -10.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -15.636 -0.520 -9.983 1.00 10.00 H new ATOM 630 N SER A 43 -9.684 -1.229 -5.058 1.00 10.00 N ATOM 631 CA SER A 43 -9.285 -0.563 -3.829 1.00 10.00 C ATOM 632 C SER A 43 -7.762 -0.408 -3.790 1.00 10.00 C ATOM 633 O SER A 43 -7.249 0.710 -3.778 1.00 10.00 O ATOM 634 CB SER A 43 -9.770 -1.336 -2.602 1.00 10.00 C ATOM 635 OG SER A 43 -10.983 -0.799 -2.078 1.00 10.00 O ATOM 0 H SER A 43 -10.022 -2.184 -4.936 1.00 10.00 H new ATOM 0 HA SER A 43 -9.746 0.424 -3.809 1.00 10.00 H new ATOM 0 HB2 SER A 43 -9.922 -2.382 -2.869 1.00 10.00 H new ATOM 0 HB3 SER A 43 -9.000 -1.312 -1.831 1.00 10.00 H new ATOM 0 HG SER A 43 -11.261 -1.321 -1.296 1.00 10.00 H new ATOM 641 N ALA A 44 -7.084 -1.546 -3.770 1.00 10.00 N ATOM 642 CA ALA A 44 -5.632 -1.550 -3.732 1.00 10.00 C ATOM 643 C ALA A 44 -5.093 -0.731 -4.907 1.00 10.00 C ATOM 644 O ALA A 44 -3.919 -0.363 -4.925 1.00 10.00 O ATOM 645 CB ALA A 44 -5.125 -2.994 -3.747 1.00 10.00 C ATOM 0 H ALA A 44 -7.513 -2.471 -3.779 1.00 10.00 H new ATOM 0 HA ALA A 44 -5.271 -1.087 -2.814 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -4.035 -2.997 -3.719 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -5.512 -3.525 -2.877 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.466 -3.490 -4.656 1.00 10.00 H new ATOM 651 N HIS A 45 -5.976 -0.469 -5.859 1.00 10.00 N ATOM 652 CA HIS A 45 -5.604 0.300 -7.034 1.00 10.00 C ATOM 653 C HIS A 45 -5.908 1.780 -6.796 1.00 10.00 C ATOM 654 O HIS A 45 -5.117 2.647 -7.165 1.00 10.00 O ATOM 655 CB HIS A 45 -6.290 -0.253 -8.285 1.00 10.00 C ATOM 656 CG HIS A 45 -5.525 -1.363 -8.964 1.00 10.00 C ATOM 657 ND1 HIS A 45 -5.912 -1.907 -10.177 1.00 10.00 N ATOM 658 CD2 HIS A 45 -4.392 -2.024 -8.590 1.00 10.00 C ATOM 659 CE1 HIS A 45 -5.045 -2.853 -10.506 1.00 10.00 C ATOM 660 NE2 HIS A 45 -4.104 -2.925 -9.522 1.00 10.00 N ATOM 0 H HIS A 45 -6.949 -0.776 -5.841 1.00 10.00 H new ATOM 0 HA HIS A 45 -4.532 0.209 -7.208 1.00 10.00 H new ATOM 0 HB2 HIS A 45 -7.279 -0.621 -8.012 1.00 10.00 H new ATOM 0 HB3 HIS A 45 -6.438 0.560 -8.996 1.00 10.00 H new ATOM 0 HD2 HIS A 45 -3.825 -1.845 -7.688 1.00 10.00 H new ATOM 0 HE1 HIS A 45 -5.078 -3.461 -11.398 1.00 10.00 H new ATOM 0 HE2 HIS A 45 -3.310 -3.565 -9.505 1.00 10.00 H new ATOM 668 N LYS A 46 -7.057 2.024 -6.183 1.00 10.00 N ATOM 669 CA LYS A 46 -7.476 3.384 -5.892 1.00 10.00 C ATOM 670 C LYS A 46 -8.366 3.384 -4.648 1.00 10.00 C ATOM 671 O LYS A 46 -8.899 2.346 -4.260 1.00 10.00 O ATOM 672 CB LYS A 46 -8.136 4.016 -7.120 1.00 10.00 C ATOM 673 CG LYS A 46 -7.366 3.670 -8.395 1.00 10.00 C ATOM 674 CD LYS A 46 -8.024 4.303 -9.623 1.00 10.00 C ATOM 675 CE LYS A 46 -7.693 3.515 -10.891 1.00 10.00 C ATOM 676 NZ LYS A 46 -7.545 4.430 -12.046 1.00 10.00 N ATOM 0 H LYS A 46 -7.711 1.302 -5.880 1.00 10.00 H new ATOM 0 HA LYS A 46 -6.612 4.008 -5.666 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -9.164 3.665 -7.206 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -8.177 5.098 -6.998 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -6.337 4.020 -8.309 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -7.326 2.588 -8.517 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -9.105 4.337 -9.484 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -7.684 5.333 -9.732 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -6.772 2.951 -10.746 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -8.482 2.790 -11.092 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -7.320 3.879 -12.899 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -8.434 4.949 -12.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -6.777 5.105 -11.858 1.00 10.00 H new ATOM 690 N ASP A 47 -8.499 4.562 -4.054 1.00 10.00 N ATOM 691 CA ASP A 47 -9.315 4.711 -2.861 1.00 10.00 C ATOM 692 C ASP A 47 -8.746 3.829 -1.746 1.00 10.00 C ATOM 693 O ASP A 47 -9.417 3.579 -0.746 1.00 10.00 O ATOM 694 CB ASP A 47 -10.757 4.270 -3.121 1.00 10.00 C ATOM 695 CG ASP A 47 -11.818 5.019 -2.311 1.00 10.00 C ATOM 696 OD1 ASP A 47 -11.720 6.264 -2.262 1.00 10.00 O ATOM 697 OD2 ASP A 47 -12.703 4.329 -1.761 1.00 10.00 O ATOM 0 H ASP A 47 -8.055 5.422 -4.377 1.00 10.00 H new ATOM 0 HA ASP A 47 -9.305 5.763 -2.575 1.00 10.00 H new ATOM 0 HB2 ASP A 47 -10.974 4.397 -4.182 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -10.840 3.205 -2.904 1.00 10.00 H new ATOM 702 N ALA A 48 -7.516 3.386 -1.957 1.00 10.00 N ATOM 703 CA ALA A 48 -6.849 2.538 -0.983 1.00 10.00 C ATOM 704 C ALA A 48 -5.339 2.769 -1.061 1.00 10.00 C ATOM 705 O ALA A 48 -4.674 2.905 -0.035 1.00 10.00 O ATOM 706 CB ALA A 48 -7.230 1.077 -1.230 1.00 10.00 C ATOM 0 H ALA A 48 -6.963 3.598 -2.788 1.00 10.00 H new ATOM 0 HA ALA A 48 -7.169 2.791 0.028 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -6.729 0.442 -0.499 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -8.309 0.961 -1.133 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -6.923 0.786 -2.235 1.00 10.00 H new ATOM 712 N CYS A 49 -4.841 2.805 -2.289 1.00 10.00 N ATOM 713 CA CYS A 49 -3.421 3.016 -2.514 1.00 10.00 C ATOM 714 C CYS A 49 -3.237 4.396 -3.149 1.00 10.00 C ATOM 715 O CYS A 49 -2.690 5.304 -2.524 1.00 10.00 O ATOM 716 CB CYS A 49 -2.815 1.906 -3.374 1.00 10.00 C ATOM 717 SG CYS A 49 -2.279 0.423 -2.445 1.00 10.00 S ATOM 0 H CYS A 49 -5.395 2.692 -3.138 1.00 10.00 H new ATOM 0 HA CYS A 49 -2.889 2.980 -1.564 1.00 10.00 H new ATOM 0 HB2 CYS A 49 -3.548 1.604 -4.122 1.00 10.00 H new ATOM 0 HB3 CYS A 49 -1.958 2.310 -3.913 1.00 10.00 H new ATOM 0 HG CYS A 49 -2.803 -0.638 -2.982 1.00 10.00 H new ATOM 722 N LYS A 50 -3.702 4.511 -4.384 1.00 10.00 N ATOM 723 CA LYS A 50 -3.594 5.764 -5.111 1.00 10.00 C ATOM 724 C LYS A 50 -4.368 6.851 -4.361 1.00 10.00 C ATOM 725 O LYS A 50 -5.526 7.122 -4.674 1.00 10.00 O ATOM 726 CB LYS A 50 -4.042 5.582 -6.563 1.00 10.00 C ATOM 727 CG LYS A 50 -3.010 4.779 -7.358 1.00 10.00 C ATOM 728 CD LYS A 50 -2.279 5.670 -8.364 1.00 10.00 C ATOM 729 CE LYS A 50 -2.892 5.539 -9.760 1.00 10.00 C ATOM 730 NZ LYS A 50 -1.909 4.964 -10.705 1.00 10.00 N ATOM 0 H LYS A 50 -4.155 3.756 -4.900 1.00 10.00 H new ATOM 0 HA LYS A 50 -2.554 6.087 -5.161 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -5.004 5.071 -6.589 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -4.186 6.557 -7.028 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.290 4.329 -6.675 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -3.505 3.962 -7.883 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.328 6.709 -8.038 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -1.225 5.396 -8.399 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -3.778 4.905 -9.717 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -3.217 6.517 -10.114 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -1.984 5.449 -11.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.949 5.088 -10.325 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -2.102 3.950 -10.833 1.00 10.00 H new ATOM 744 N THR A 51 -3.695 7.445 -3.386 1.00 10.00 N ATOM 745 CA THR A 51 -4.305 8.496 -2.590 1.00 10.00 C ATOM 746 C THR A 51 -3.260 9.151 -1.683 1.00 10.00 C ATOM 747 O THR A 51 -3.249 10.371 -1.524 1.00 10.00 O ATOM 748 CB THR A 51 -5.479 7.886 -1.822 1.00 10.00 C ATOM 749 OG1 THR A 51 -6.140 9.011 -1.249 1.00 10.00 O ATOM 750 CG2 THR A 51 -5.026 7.067 -0.612 1.00 10.00 C ATOM 0 H THR A 51 -2.734 7.218 -3.130 1.00 10.00 H new ATOM 0 HA THR A 51 -4.691 9.297 -3.220 1.00 10.00 H new ATOM 0 HB THR A 51 -6.061 7.253 -2.492 1.00 10.00 H new ATOM 0 HG1 THR A 51 -6.916 8.707 -0.734 1.00 10.00 H new ATOM 0 HG21 THR A 51 -5.898 6.657 -0.103 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.383 6.252 -0.944 1.00 10.00 H new ATOM 0 HG23 THR A 51 -4.473 7.708 0.075 1.00 10.00 H new ATOM 758 N CYS A 52 -2.409 8.312 -1.112 1.00 10.00 N ATOM 759 CA CYS A 52 -1.363 8.794 -0.227 1.00 10.00 C ATOM 760 C CYS A 52 -0.041 8.796 -0.999 1.00 10.00 C ATOM 761 O CYS A 52 0.942 9.382 -0.551 1.00 10.00 O ATOM 762 CB CYS A 52 -1.275 7.960 1.053 1.00 10.00 C ATOM 763 SG CYS A 52 0.266 8.184 2.012 1.00 10.00 S ATOM 0 H CYS A 52 -2.423 7.301 -1.245 1.00 10.00 H new ATOM 0 HA CYS A 52 -1.596 9.809 0.094 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -2.123 8.210 1.691 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -1.373 6.907 0.791 1.00 10.00 H new ATOM 0 HG CYS A 52 1.145 8.805 1.282 1.00 10.00 H new ATOM 768 N HIS A 53 -0.063 8.131 -2.144 1.00 10.00 N ATOM 769 CA HIS A 53 1.122 8.048 -2.982 1.00 10.00 C ATOM 770 C HIS A 53 1.062 9.128 -4.064 1.00 10.00 C ATOM 771 O HIS A 53 1.774 9.051 -5.064 1.00 10.00 O ATOM 772 CB HIS A 53 1.282 6.640 -3.559 1.00 10.00 C ATOM 773 CG HIS A 53 2.307 5.795 -2.840 1.00 10.00 C ATOM 774 ND1 HIS A 53 3.668 5.918 -3.063 1.00 10.00 N ATOM 775 CD2 HIS A 53 2.158 4.818 -1.901 1.00 10.00 C ATOM 776 CE1 HIS A 53 4.299 5.047 -2.289 1.00 10.00 C ATOM 777 NE2 HIS A 53 3.361 4.366 -1.570 1.00 10.00 N ATOM 0 H HIS A 53 -0.881 7.645 -2.511 1.00 10.00 H new ATOM 0 HA HIS A 53 2.011 8.234 -2.380 1.00 10.00 H new ATOM 0 HB2 HIS A 53 0.318 6.132 -3.524 1.00 10.00 H new ATOM 0 HB3 HIS A 53 1.563 6.718 -4.609 1.00 10.00 H new ATOM 0 HD2 HIS A 53 1.219 4.471 -1.495 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.368 4.902 -2.237 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.553 3.630 -0.890 1.00 10.00 H new ATOM 785 N LYS A 54 0.204 10.109 -3.829 1.00 10.00 N ATOM 786 CA LYS A 54 0.040 11.204 -4.771 1.00 10.00 C ATOM 787 C LYS A 54 0.844 12.412 -4.287 1.00 10.00 C ATOM 788 O LYS A 54 0.296 13.500 -4.122 1.00 10.00 O ATOM 789 CB LYS A 54 -1.443 11.502 -4.994 1.00 10.00 C ATOM 790 CG LYS A 54 -2.177 10.266 -5.520 1.00 10.00 C ATOM 791 CD LYS A 54 -3.682 10.524 -5.622 1.00 10.00 C ATOM 792 CE LYS A 54 -4.079 10.897 -7.051 1.00 10.00 C ATOM 793 NZ LYS A 54 -4.999 12.057 -7.047 1.00 10.00 N ATOM 0 H LYS A 54 -0.386 10.169 -2.999 1.00 10.00 H new ATOM 0 HA LYS A 54 0.436 10.928 -5.748 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -1.897 11.828 -4.058 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -1.550 12.323 -5.703 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -1.784 9.995 -6.500 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -1.993 9.420 -4.857 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -4.229 9.635 -5.309 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -3.964 11.327 -4.941 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -3.188 11.134 -7.632 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -4.559 10.046 -7.535 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -5.259 12.297 -8.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -5.857 11.818 -6.510 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -4.529 12.872 -6.604 1.00 10.00 H new ATOM 807 N SER A 55 2.132 12.179 -4.071 1.00 10.00 N ATOM 808 CA SER A 55 3.016 13.236 -3.609 1.00 10.00 C ATOM 809 C SER A 55 4.455 12.722 -3.547 1.00 10.00 C ATOM 810 O SER A 55 5.354 13.309 -4.146 1.00 10.00 O ATOM 811 CB SER A 55 2.579 13.759 -2.240 1.00 10.00 C ATOM 812 OG SER A 55 3.546 14.639 -1.672 1.00 10.00 O ATOM 0 H SER A 55 2.583 11.274 -4.207 1.00 10.00 H new ATOM 0 HA SER A 55 2.962 14.063 -4.317 1.00 10.00 H new ATOM 0 HB2 SER A 55 1.627 14.281 -2.338 1.00 10.00 H new ATOM 0 HB3 SER A 55 2.414 12.918 -1.566 1.00 10.00 H new ATOM 0 HG SER A 55 3.230 14.953 -0.799 1.00 10.00 H new ATOM 818 N ASN A 56 4.630 11.631 -2.816 1.00 10.00 N ATOM 819 CA ASN A 56 5.945 11.031 -2.667 1.00 10.00 C ATOM 820 C ASN A 56 6.495 10.670 -4.048 1.00 10.00 C ATOM 821 O ASN A 56 5.931 11.064 -5.067 1.00 10.00 O ATOM 822 CB ASN A 56 5.875 9.749 -1.835 1.00 10.00 C ATOM 823 CG ASN A 56 5.313 8.590 -2.660 1.00 10.00 C ATOM 824 OD1 ASN A 56 6.225 7.688 -3.015 1.00 10.00 O flip ATOM 825 ND2 ASN A 56 4.132 8.518 -2.955 1.00 10.00 N flip ATOM 0 H ASN A 56 3.882 11.146 -2.320 1.00 10.00 H new ATOM 0 HA ASN A 56 6.590 11.752 -2.164 1.00 10.00 H new ATOM 0 HB2 ASN A 56 6.870 9.492 -1.472 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.248 9.914 -0.959 1.00 10.00 H new ATOM 0 HD21 ASN A 56 3.485 9.245 -2.650 1.00 10.00 H new ATOM 0 HD22 ASN A 56 3.791 7.731 -3.507 1.00 10.00 H new ATOM 832 N ASN A 57 7.589 9.922 -4.036 1.00 10.00 N ATOM 833 CA ASN A 57 8.221 9.503 -5.275 1.00 10.00 C ATOM 834 C ASN A 57 8.462 7.992 -5.234 1.00 10.00 C ATOM 835 O ASN A 57 9.055 7.480 -4.287 1.00 10.00 O ATOM 836 CB ASN A 57 9.575 10.192 -5.464 1.00 10.00 C ATOM 837 CG ASN A 57 10.572 9.744 -4.394 1.00 10.00 C ATOM 838 OD1 ASN A 57 11.317 8.793 -4.562 1.00 10.00 O ATOM 839 ND2 ASN A 57 10.544 10.480 -3.287 1.00 10.00 N ATOM 0 H ASN A 57 8.053 9.596 -3.188 1.00 10.00 H new ATOM 0 HA ASN A 57 7.560 9.774 -6.099 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.970 9.961 -6.453 1.00 10.00 H new ATOM 0 HB3 ASN A 57 9.447 11.273 -5.417 1.00 10.00 H new ATOM 0 HD21 ASN A 57 11.172 10.261 -2.513 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.895 11.263 -3.212 1.00 10.00 H new ATOM 846 N GLY A 58 7.987 7.321 -6.274 1.00 10.00 N ATOM 847 CA GLY A 58 8.144 5.880 -6.368 1.00 10.00 C ATOM 848 C GLY A 58 7.297 5.311 -7.509 1.00 10.00 C ATOM 849 O GLY A 58 7.576 5.562 -8.680 1.00 10.00 O ATOM 0 H GLY A 58 7.494 7.749 -7.058 1.00 10.00 H new ATOM 0 HA2 GLY A 58 9.193 5.635 -6.531 1.00 10.00 H new ATOM 0 HA3 GLY A 58 7.851 5.416 -5.426 1.00 10.00 H new ATOM 853 N PRO A 59 6.251 4.534 -7.115 1.00 10.00 N ATOM 854 CA PRO A 59 5.362 3.927 -8.091 1.00 10.00 C ATOM 855 C PRO A 59 4.411 4.966 -8.687 1.00 10.00 C ATOM 856 O PRO A 59 4.732 5.605 -9.687 1.00 10.00 O ATOM 857 CB PRO A 59 4.640 2.826 -7.332 1.00 10.00 C ATOM 858 CG PRO A 59 4.806 3.157 -5.858 1.00 10.00 C ATOM 859 CD PRO A 59 5.890 4.215 -5.737 1.00 10.00 C ATOM 0 HA PRO A 59 5.895 3.518 -8.949 1.00 10.00 H new ATOM 0 HB2 PRO A 59 3.586 2.788 -7.607 1.00 10.00 H new ATOM 0 HB3 PRO A 59 5.065 1.849 -7.563 1.00 10.00 H new ATOM 0 HG2 PRO A 59 3.868 3.523 -5.441 1.00 10.00 H new ATOM 0 HG3 PRO A 59 5.079 2.265 -5.295 1.00 10.00 H new ATOM 0 HD2 PRO A 59 5.526 5.096 -5.209 1.00 10.00 H new ATOM 0 HD3 PRO A 59 6.748 3.841 -5.179 1.00 10.00 H new ATOM 867 N THR A 60 3.258 5.104 -8.047 1.00 10.00 N ATOM 868 CA THR A 60 2.259 6.054 -8.501 1.00 10.00 C ATOM 869 C THR A 60 1.658 5.600 -9.833 1.00 10.00 C ATOM 870 O THR A 60 0.448 5.400 -9.938 1.00 10.00 O ATOM 871 CB THR A 60 2.914 7.434 -8.569 1.00 10.00 C ATOM 872 OG1 THR A 60 3.443 7.633 -7.261 1.00 10.00 O ATOM 873 CG2 THR A 60 1.893 8.561 -8.732 1.00 10.00 C ATOM 0 H THR A 60 2.995 4.573 -7.217 1.00 10.00 H new ATOM 0 HA THR A 60 1.422 6.110 -7.805 1.00 10.00 H new ATOM 0 HB THR A 60 3.618 7.459 -9.401 1.00 10.00 H new ATOM 0 HG1 THR A 60 2.768 8.066 -6.698 1.00 10.00 H new ATOM 0 HG21 THR A 60 2.412 9.519 -8.775 1.00 10.00 H new ATOM 0 HG22 THR A 60 1.330 8.412 -9.654 1.00 10.00 H new ATOM 0 HG23 THR A 60 1.208 8.557 -7.884 1.00 10.00 H new ATOM 881 N LYS A 61 2.531 5.451 -10.819 1.00 10.00 N ATOM 882 CA LYS A 61 2.102 5.025 -12.140 1.00 10.00 C ATOM 883 C LYS A 61 2.224 3.503 -12.245 1.00 10.00 C ATOM 884 O LYS A 61 2.885 2.872 -11.422 1.00 10.00 O ATOM 885 CB LYS A 61 2.874 5.781 -13.224 1.00 10.00 C ATOM 886 CG LYS A 61 4.058 4.954 -13.730 1.00 10.00 C ATOM 887 CD LYS A 61 5.137 5.855 -14.333 1.00 10.00 C ATOM 888 CE LYS A 61 6.281 6.078 -13.343 1.00 10.00 C ATOM 889 NZ LYS A 61 6.521 7.525 -13.145 1.00 10.00 N ATOM 0 H LYS A 61 3.533 5.618 -10.729 1.00 10.00 H new ATOM 0 HA LYS A 61 1.052 5.272 -12.298 1.00 10.00 H new ATOM 0 HB2 LYS A 61 2.208 6.015 -14.054 1.00 10.00 H new ATOM 0 HB3 LYS A 61 3.232 6.730 -12.826 1.00 10.00 H new ATOM 0 HG2 LYS A 61 4.480 4.375 -12.908 1.00 10.00 H new ATOM 0 HG3 LYS A 61 3.714 4.241 -14.479 1.00 10.00 H new ATOM 0 HD2 LYS A 61 5.524 5.403 -15.246 1.00 10.00 H new ATOM 0 HD3 LYS A 61 4.701 6.814 -14.612 1.00 10.00 H new ATOM 0 HE2 LYS A 61 6.040 5.609 -12.389 1.00 10.00 H new ATOM 0 HE3 LYS A 61 7.188 5.600 -13.713 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 7.301 7.658 -12.470 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 6.772 7.963 -14.054 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 5.659 7.972 -12.771 1.00 10.00 H new ATOM 903 N CYS A 62 1.575 2.958 -13.264 1.00 10.00 N ATOM 904 CA CYS A 62 1.603 1.523 -13.487 1.00 10.00 C ATOM 905 C CYS A 62 3.059 1.057 -13.436 1.00 10.00 C ATOM 906 O CYS A 62 3.971 1.872 -13.307 1.00 10.00 O ATOM 907 CB CYS A 62 0.928 1.143 -14.806 1.00 10.00 C ATOM 908 SG CYS A 62 0.135 -0.507 -14.815 1.00 10.00 S ATOM 0 H CYS A 62 1.027 3.485 -13.944 1.00 10.00 H new ATOM 0 HA CYS A 62 1.034 1.020 -12.705 1.00 10.00 H new ATOM 0 HB2 CYS A 62 0.174 1.894 -15.042 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.672 1.177 -15.602 1.00 10.00 H new ATOM 0 HG CYS A 62 -0.405 -0.722 -15.978 1.00 10.00 H new ATOM 913 N GLY A 63 3.232 -0.253 -13.539 1.00 10.00 N ATOM 914 CA GLY A 63 4.562 -0.837 -13.506 1.00 10.00 C ATOM 915 C GLY A 63 5.401 -0.226 -12.383 1.00 10.00 C ATOM 916 O GLY A 63 6.608 -0.042 -12.534 1.00 10.00 O ATOM 0 H GLY A 63 2.473 -0.926 -13.645 1.00 10.00 H new ATOM 0 HA2 GLY A 63 4.486 -1.915 -13.363 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.057 -0.676 -14.464 1.00 10.00 H new ATOM 920 N GLY A 64 4.730 0.074 -11.281 1.00 10.00 N ATOM 921 CA GLY A 64 5.399 0.661 -10.132 1.00 10.00 C ATOM 922 C GLY A 64 5.408 -0.308 -8.949 1.00 10.00 C ATOM 923 O GLY A 64 6.444 -0.886 -8.623 1.00 10.00 O ATOM 0 H GLY A 64 3.729 -0.079 -11.159 1.00 10.00 H new ATOM 0 HA2 GLY A 64 6.422 0.925 -10.398 1.00 10.00 H new ATOM 0 HA3 GLY A 64 4.896 1.585 -9.846 1.00 10.00 H new ATOM 927 N CYS A 65 4.243 -0.456 -8.337 1.00 10.00 N ATOM 928 CA CYS A 65 4.103 -1.344 -7.196 1.00 10.00 C ATOM 929 C CYS A 65 4.425 -2.768 -7.655 1.00 10.00 C ATOM 930 O CYS A 65 5.123 -3.505 -6.960 1.00 10.00 O ATOM 931 CB CYS A 65 2.710 -1.247 -6.570 1.00 10.00 C ATOM 932 SG CYS A 65 2.018 0.445 -6.498 1.00 10.00 S ATOM 0 H CYS A 65 3.386 0.025 -8.610 1.00 10.00 H new ATOM 0 HA CYS A 65 4.801 -1.048 -6.413 1.00 10.00 H new ATOM 0 HB2 CYS A 65 2.027 -1.880 -7.137 1.00 10.00 H new ATOM 0 HB3 CYS A 65 2.753 -1.650 -5.558 1.00 10.00 H new ATOM 0 HG CYS A 65 0.838 0.409 -5.953 1.00 10.00 H new ATOM 937 N HIS A 66 3.899 -3.113 -8.821 1.00 10.00 N ATOM 938 CA HIS A 66 4.122 -4.435 -9.380 1.00 10.00 C ATOM 939 C HIS A 66 5.582 -4.569 -9.815 1.00 10.00 C ATOM 940 O HIS A 66 5.987 -4.000 -10.828 1.00 10.00 O ATOM 941 CB HIS A 66 3.136 -4.718 -10.516 1.00 10.00 C ATOM 942 CG HIS A 66 1.724 -4.984 -10.052 1.00 10.00 C ATOM 943 ND1 HIS A 66 1.178 -6.255 -10.006 1.00 10.00 N ATOM 944 CD2 HIS A 66 0.754 -4.132 -9.612 1.00 10.00 C ATOM 945 CE1 HIS A 66 -0.066 -6.160 -9.559 1.00 10.00 C ATOM 946 NE2 HIS A 66 -0.327 -4.843 -9.317 1.00 10.00 N ATOM 0 H HIS A 66 3.319 -2.500 -9.394 1.00 10.00 H new ATOM 0 HA HIS A 66 3.936 -5.192 -8.618 1.00 10.00 H new ATOM 0 HB2 HIS A 66 3.129 -3.868 -11.198 1.00 10.00 H new ATOM 0 HB3 HIS A 66 3.489 -5.579 -11.084 1.00 10.00 H new ATOM 0 HD1 HIS A 66 1.652 -7.118 -10.271 1.00 10.00 H new ATOM 0 HD2 HIS A 66 0.850 -3.060 -9.519 1.00 10.00 H new ATOM 0 HE1 HIS A 66 -0.752 -6.981 -9.412 1.00 10.00 H new ATOM 954 N ILE A 67 6.333 -5.326 -9.029 1.00 10.00 N ATOM 955 CA ILE A 67 7.740 -5.542 -9.321 1.00 10.00 C ATOM 956 C ILE A 67 7.874 -6.611 -10.408 1.00 10.00 C ATOM 957 O ILE A 67 8.177 -7.766 -10.114 1.00 10.00 O ATOM 958 CB ILE A 67 8.509 -5.871 -8.038 1.00 10.00 C ATOM 959 CG1 ILE A 67 8.263 -4.809 -6.965 1.00 10.00 C ATOM 960 CG2 ILE A 67 9.999 -6.060 -8.327 1.00 10.00 C ATOM 961 CD1 ILE A 67 8.411 -3.400 -7.543 1.00 10.00 C ATOM 0 H ILE A 67 5.994 -5.797 -8.190 1.00 10.00 H new ATOM 0 HA ILE A 67 8.191 -4.630 -9.713 1.00 10.00 H new ATOM 0 HB ILE A 67 8.134 -6.817 -7.647 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.263 -4.932 -6.549 1.00 10.00 H new ATOM 0 HG13 ILE A 67 8.968 -4.945 -6.145 1.00 10.00 H new ATOM 0 HG21 ILE A 67 10.523 -6.293 -7.400 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.131 -6.879 -9.034 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.406 -5.143 -8.753 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.231 -2.664 -6.759 1.00 10.00 H new ATOM 0 HD12 ILE A 67 9.420 -3.272 -7.936 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.688 -3.258 -8.346 1.00 10.00 H new ATOM 973 N LYS A 68 7.638 -6.187 -11.641 1.00 10.00 N ATOM 974 CA LYS A 68 7.728 -7.093 -12.774 1.00 10.00 C ATOM 975 C LYS A 68 9.184 -7.185 -13.234 1.00 10.00 C ATOM 976 O LYS A 68 10.036 -6.430 -12.765 1.00 10.00 O ATOM 977 CB LYS A 68 6.760 -6.667 -13.878 1.00 10.00 C ATOM 978 CG LYS A 68 5.806 -7.807 -14.242 1.00 10.00 C ATOM 979 CD LYS A 68 6.038 -8.278 -15.680 1.00 10.00 C ATOM 980 CE LYS A 68 5.436 -9.666 -15.906 1.00 10.00 C ATOM 981 NZ LYS A 68 4.145 -9.561 -16.622 1.00 10.00 N ATOM 0 H LYS A 68 7.385 -5.228 -11.880 1.00 10.00 H new ATOM 0 HA LYS A 68 7.422 -8.098 -12.484 1.00 10.00 H new ATOM 0 HB2 LYS A 68 6.187 -5.800 -13.549 1.00 10.00 H new ATOM 0 HB3 LYS A 68 7.322 -6.362 -14.761 1.00 10.00 H new ATOM 0 HG2 LYS A 68 5.951 -8.641 -13.555 1.00 10.00 H new ATOM 0 HG3 LYS A 68 4.775 -7.474 -14.127 1.00 10.00 H new ATOM 0 HD2 LYS A 68 5.593 -7.567 -16.376 1.00 10.00 H new ATOM 0 HD3 LYS A 68 7.107 -8.303 -15.890 1.00 10.00 H new ATOM 0 HE2 LYS A 68 6.129 -10.280 -16.481 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.288 -10.165 -14.948 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.750 -10.512 -16.767 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 3.481 -8.993 -16.059 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.296 -9.104 -17.544 1.00 10.00 H new