USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 651 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 36 ASN : amide:sc= 0.838 K(o=1.4,f=-1.7!) USER MOD Set 1.2: A 38 THR OG1 : rot 86:sc= 0.595 USER MOD Single : A 21 MET CE :methyl -170:sc= 0 (180deg=-0.136) USER MOD Single : A 23 SER OG : rot 37:sc= 0.12 USER MOD Single : A 27 ASN : amide:sc= -0.24 K(o=-0.24,f=-3!) USER MOD Single : A 32 ASN : amide:sc=-0.00176 K(o=-0.0018,f=-3.6!) USER MOD Single : A 34 GLN : amide:sc= -0.171 K(o=-0.17,f=-3.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 45:sc= 0.144 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.145 F(o=-1.1,f=-0.14) USER MOD Single : A 82 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.00053) USER MOD Single : A 84 GLN : amide:sc= -0.0791 K(o=-0.079,f=-6.4!) USER MOD Single : A 85 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.0029) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.422 K(o=0.42,f=-0.16) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 0.591 (180deg=-0.0553) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 42:sc= -1.97! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.42) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00812 USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0181) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN :FLIP amide:sc= -0.106 F(o=-1.3,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 8.259 -24.908 -68.469 1.00 0.00 N ATOM 2 CA MET A 21 8.602 -25.376 -67.098 1.00 0.00 C ATOM 3 C MET A 21 7.545 -24.886 -66.093 1.00 0.00 C ATOM 4 O MET A 21 7.159 -23.709 -66.110 1.00 0.00 O ATOM 5 CB MET A 21 10.034 -24.917 -66.691 1.00 0.00 C ATOM 6 CG MET A 21 10.266 -23.388 -66.635 1.00 0.00 C ATOM 7 SD MET A 21 10.043 -22.555 -68.230 1.00 0.00 S ATOM 8 CE MET A 21 11.378 -23.237 -69.220 1.00 0.00 C ATOM 0 HA MET A 21 8.600 -26.466 -67.090 1.00 0.00 H new ATOM 0 HB2 MET A 21 10.263 -25.335 -65.711 1.00 0.00 H new ATOM 0 HB3 MET A 21 10.746 -25.347 -67.396 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.580 -22.952 -65.909 1.00 0.00 H new ATOM 0 HG3 MET A 21 11.276 -23.196 -66.274 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.460 -22.681 -70.154 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.315 -23.161 -68.669 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.170 -24.284 -69.439 1.00 0.00 H new ATOM 18 N ALA A 22 7.065 -25.798 -65.226 1.00 0.00 N ATOM 19 CA ALA A 22 6.072 -25.482 -64.187 1.00 0.00 C ATOM 20 C ALA A 22 6.786 -24.891 -62.960 1.00 0.00 C ATOM 21 O ALA A 22 6.921 -25.540 -61.918 1.00 0.00 O ATOM 22 CB ALA A 22 5.235 -26.728 -63.826 1.00 0.00 C ATOM 0 H ALA A 22 7.357 -26.775 -65.228 1.00 0.00 H new ATOM 0 HA ALA A 22 5.374 -24.737 -64.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.509 -26.468 -63.056 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.712 -27.084 -64.713 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.893 -27.513 -63.453 1.00 0.00 H new ATOM 28 N SER A 23 7.296 -23.660 -63.141 1.00 0.00 N ATOM 29 CA SER A 23 8.059 -22.913 -62.137 1.00 0.00 C ATOM 30 C SER A 23 8.206 -21.458 -62.616 1.00 0.00 C ATOM 31 O SER A 23 8.727 -21.217 -63.710 1.00 0.00 O ATOM 32 CB SER A 23 9.451 -23.567 -61.920 1.00 0.00 C ATOM 33 OG SER A 23 10.105 -23.811 -63.159 1.00 0.00 O ATOM 0 H SER A 23 7.183 -23.147 -64.015 1.00 0.00 H new ATOM 0 HA SER A 23 7.534 -22.929 -61.182 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.069 -22.916 -61.302 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.334 -24.505 -61.377 1.00 0.00 H new ATOM 0 HG SER A 23 9.906 -23.082 -63.783 1.00 0.00 H new ATOM 39 N GLY A 24 7.703 -20.502 -61.806 1.00 0.00 N ATOM 40 CA GLY A 24 7.749 -19.067 -62.139 1.00 0.00 C ATOM 41 C GLY A 24 6.464 -18.562 -62.800 1.00 0.00 C ATOM 42 O GLY A 24 6.207 -17.353 -62.821 1.00 0.00 O ATOM 0 H GLY A 24 7.258 -20.703 -60.911 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.932 -18.495 -61.229 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.591 -18.882 -62.806 1.00 0.00 H new ATOM 46 N TRP A 25 5.660 -19.504 -63.342 1.00 0.00 N ATOM 47 CA TRP A 25 4.354 -19.212 -63.990 1.00 0.00 C ATOM 48 C TRP A 25 3.359 -18.566 -62.987 1.00 0.00 C ATOM 49 O TRP A 25 2.542 -17.723 -63.357 1.00 0.00 O ATOM 50 CB TRP A 25 3.762 -20.521 -64.590 1.00 0.00 C ATOM 51 CG TRP A 25 3.400 -21.574 -63.554 1.00 0.00 C ATOM 52 CD1 TRP A 25 4.258 -22.328 -62.805 1.00 0.00 C ATOM 53 CD2 TRP A 25 2.076 -21.971 -63.148 1.00 0.00 C ATOM 54 NE1 TRP A 25 3.557 -23.159 -61.970 1.00 0.00 N ATOM 55 CE2 TRP A 25 2.219 -22.955 -62.157 1.00 0.00 C ATOM 56 CE3 TRP A 25 0.784 -21.581 -63.531 1.00 0.00 C ATOM 57 CZ2 TRP A 25 1.129 -23.560 -61.541 1.00 0.00 C ATOM 58 CZ3 TRP A 25 -0.301 -22.177 -62.915 1.00 0.00 C ATOM 59 CH2 TRP A 25 -0.122 -23.163 -61.932 1.00 0.00 C ATOM 0 H TRP A 25 5.897 -20.496 -63.344 1.00 0.00 H new ATOM 0 HA TRP A 25 4.518 -18.494 -64.794 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.871 -20.273 -65.166 1.00 0.00 H new ATOM 0 HB3 TRP A 25 4.484 -20.947 -65.287 1.00 0.00 H new ATOM 0 HD1 TRP A 25 5.335 -22.277 -62.862 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.968 -23.823 -61.314 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.640 -20.829 -64.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 1.264 -24.316 -60.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -1.301 -21.880 -63.194 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -0.988 -23.618 -61.475 1.00 0.00 H new ATOM 70 N ALA A 26 3.438 -19.026 -61.724 1.00 0.00 N ATOM 71 CA ALA A 26 2.657 -18.502 -60.586 1.00 0.00 C ATOM 72 C ALA A 26 3.428 -18.726 -59.272 1.00 0.00 C ATOM 73 O ALA A 26 2.889 -18.532 -58.183 1.00 0.00 O ATOM 74 CB ALA A 26 1.280 -19.194 -60.534 1.00 0.00 C ATOM 0 H ALA A 26 4.061 -19.790 -61.460 1.00 0.00 H new ATOM 0 HA ALA A 26 2.503 -17.431 -60.717 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.708 -18.803 -59.692 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.740 -19.000 -61.461 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.417 -20.268 -60.412 1.00 0.00 H new ATOM 80 N ASN A 27 4.700 -19.141 -59.401 1.00 0.00 N ATOM 81 CA ASN A 27 5.579 -19.434 -58.262 1.00 0.00 C ATOM 82 C ASN A 27 6.557 -18.264 -58.113 1.00 0.00 C ATOM 83 O ASN A 27 7.678 -18.304 -58.638 1.00 0.00 O ATOM 84 CB ASN A 27 6.353 -20.776 -58.483 1.00 0.00 C ATOM 85 CG ASN A 27 5.466 -22.003 -58.744 1.00 0.00 C ATOM 86 OD1 ASN A 27 4.383 -21.911 -59.323 1.00 0.00 O ATOM 87 ND2 ASN A 27 5.931 -23.173 -58.342 1.00 0.00 N ATOM 0 H ASN A 27 5.148 -19.283 -60.306 1.00 0.00 H new ATOM 0 HA ASN A 27 4.987 -19.551 -57.354 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.032 -20.651 -59.327 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.968 -20.972 -57.605 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.390 -24.022 -58.510 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.830 -23.227 -57.864 1.00 0.00 H new ATOM 94 N ASP A 28 6.076 -17.181 -57.482 1.00 0.00 N ATOM 95 CA ASP A 28 6.889 -15.969 -57.247 1.00 0.00 C ATOM 96 C ASP A 28 7.868 -16.212 -56.094 1.00 0.00 C ATOM 97 O ASP A 28 7.605 -17.024 -55.195 1.00 0.00 O ATOM 98 CB ASP A 28 5.991 -14.742 -56.934 1.00 0.00 C ATOM 99 CG ASP A 28 4.913 -14.487 -57.998 1.00 0.00 C ATOM 100 OD1 ASP A 28 3.877 -15.179 -57.967 1.00 0.00 O ATOM 101 OD2 ASP A 28 5.091 -13.601 -58.860 1.00 0.00 O ATOM 0 H ASP A 28 5.124 -17.117 -57.122 1.00 0.00 H new ATOM 0 HA ASP A 28 7.449 -15.754 -58.157 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.509 -14.891 -55.968 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.619 -13.855 -56.844 1.00 0.00 H new ATOM 106 N ASP A 29 8.976 -15.477 -56.115 1.00 0.00 N ATOM 107 CA ASP A 29 10.035 -15.582 -55.096 1.00 0.00 C ATOM 108 C ASP A 29 9.733 -14.694 -53.875 1.00 0.00 C ATOM 109 O ASP A 29 10.590 -14.527 -53.012 1.00 0.00 O ATOM 110 CB ASP A 29 11.397 -15.206 -55.727 1.00 0.00 C ATOM 111 CG ASP A 29 11.757 -16.100 -56.924 1.00 0.00 C ATOM 112 OD1 ASP A 29 12.045 -17.298 -56.719 1.00 0.00 O ATOM 113 OD2 ASP A 29 11.735 -15.620 -58.080 1.00 0.00 O ATOM 0 H ASP A 29 9.173 -14.786 -56.839 1.00 0.00 H new ATOM 0 HA ASP A 29 10.075 -16.612 -54.742 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.369 -14.165 -56.050 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.178 -15.284 -54.971 1.00 0.00 H new ATOM 118 N ALA A 30 8.516 -14.118 -53.828 1.00 0.00 N ATOM 119 CA ALA A 30 8.043 -13.279 -52.707 1.00 0.00 C ATOM 120 C ALA A 30 6.831 -13.923 -51.999 1.00 0.00 C ATOM 121 O ALA A 30 6.645 -13.744 -50.789 1.00 0.00 O ATOM 122 CB ALA A 30 7.697 -11.869 -53.221 1.00 0.00 C ATOM 0 H ALA A 30 7.827 -14.222 -54.573 1.00 0.00 H new ATOM 0 HA ALA A 30 8.843 -13.199 -51.971 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.349 -11.254 -52.391 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.584 -11.415 -53.662 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.913 -11.939 -53.975 1.00 0.00 H new ATOM 128 N VAL A 31 6.031 -14.691 -52.759 1.00 0.00 N ATOM 129 CA VAL A 31 4.750 -15.261 -52.262 1.00 0.00 C ATOM 130 C VAL A 31 5.004 -16.524 -51.408 1.00 0.00 C ATOM 131 O VAL A 31 4.327 -16.755 -50.396 1.00 0.00 O ATOM 132 CB VAL A 31 3.747 -15.577 -53.450 1.00 0.00 C ATOM 133 CG1 VAL A 31 4.279 -16.688 -54.389 1.00 0.00 C ATOM 134 CG2 VAL A 31 2.333 -15.927 -52.913 1.00 0.00 C ATOM 0 H VAL A 31 6.244 -14.937 -53.726 1.00 0.00 H new ATOM 0 HA VAL A 31 4.281 -14.507 -51.630 1.00 0.00 H new ATOM 0 HB VAL A 31 3.668 -14.668 -54.047 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.557 -16.868 -55.186 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.228 -16.374 -54.823 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.427 -17.606 -53.820 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.668 -16.139 -53.750 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.395 -16.804 -52.268 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.942 -15.085 -52.343 1.00 0.00 H new ATOM 144 N ASN A 32 6.013 -17.312 -51.816 1.00 0.00 N ATOM 145 CA ASN A 32 6.416 -18.555 -51.125 1.00 0.00 C ATOM 146 C ASN A 32 7.085 -18.239 -49.770 1.00 0.00 C ATOM 147 O ASN A 32 7.030 -19.039 -48.832 1.00 0.00 O ATOM 148 CB ASN A 32 7.353 -19.398 -52.040 1.00 0.00 C ATOM 149 CG ASN A 32 8.689 -18.714 -52.400 1.00 0.00 C ATOM 150 OD1 ASN A 32 8.792 -17.488 -52.459 1.00 0.00 O ATOM 151 ND2 ASN A 32 9.718 -19.507 -52.663 1.00 0.00 N ATOM 0 H ASN A 32 6.578 -17.106 -52.640 1.00 0.00 H new ATOM 0 HA ASN A 32 5.524 -19.145 -50.917 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.567 -20.345 -51.544 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.822 -19.634 -52.962 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.619 -19.105 -52.921 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.609 -20.520 -52.608 1.00 0.00 H new ATOM 158 N GLU A 33 7.695 -17.043 -49.697 1.00 0.00 N ATOM 159 CA GLU A 33 8.300 -16.495 -48.473 1.00 0.00 C ATOM 160 C GLU A 33 7.229 -16.320 -47.381 1.00 0.00 C ATOM 161 O GLU A 33 7.473 -16.604 -46.213 1.00 0.00 O ATOM 162 CB GLU A 33 8.957 -15.123 -48.792 1.00 0.00 C ATOM 163 CG GLU A 33 9.912 -15.130 -50.006 1.00 0.00 C ATOM 164 CD GLU A 33 11.236 -15.874 -49.766 1.00 0.00 C ATOM 165 OE1 GLU A 33 11.290 -17.104 -49.972 1.00 0.00 O ATOM 166 OE2 GLU A 33 12.226 -15.228 -49.364 1.00 0.00 O ATOM 0 H GLU A 33 7.782 -16.421 -50.501 1.00 0.00 H new ATOM 0 HA GLU A 33 9.059 -17.187 -48.109 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.169 -14.391 -48.971 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.510 -14.788 -47.914 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.400 -15.587 -50.853 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.133 -14.100 -50.285 1.00 0.00 H new ATOM 173 N GLN A 34 6.034 -15.882 -47.814 1.00 0.00 N ATOM 174 CA GLN A 34 4.881 -15.624 -46.930 1.00 0.00 C ATOM 175 C GLN A 34 4.311 -16.939 -46.372 1.00 0.00 C ATOM 176 O GLN A 34 3.817 -16.986 -45.236 1.00 0.00 O ATOM 177 CB GLN A 34 3.781 -14.839 -47.707 1.00 0.00 C ATOM 178 CG GLN A 34 4.278 -13.559 -48.423 1.00 0.00 C ATOM 179 CD GLN A 34 4.694 -12.409 -47.496 1.00 0.00 C ATOM 180 OE1 GLN A 34 5.134 -12.604 -46.359 1.00 0.00 O ATOM 181 NE2 GLN A 34 4.595 -11.190 -47.996 1.00 0.00 N ATOM 0 H GLN A 34 5.838 -15.695 -48.797 1.00 0.00 H new ATOM 0 HA GLN A 34 5.219 -15.021 -46.088 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.336 -15.503 -48.448 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.990 -14.564 -47.009 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.128 -13.822 -49.053 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.489 -13.203 -49.085 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.228 -11.053 -48.938 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.885 -10.386 -47.440 1.00 0.00 H new ATOM 190 N ILE A 35 4.393 -18.001 -47.190 1.00 0.00 N ATOM 191 CA ILE A 35 3.951 -19.358 -46.811 1.00 0.00 C ATOM 192 C ILE A 35 4.955 -19.986 -45.809 1.00 0.00 C ATOM 193 O ILE A 35 4.587 -20.845 -45.000 1.00 0.00 O ATOM 194 CB ILE A 35 3.804 -20.272 -48.093 1.00 0.00 C ATOM 195 CG1 ILE A 35 2.879 -19.587 -49.163 1.00 0.00 C ATOM 196 CG2 ILE A 35 3.272 -21.692 -47.739 1.00 0.00 C ATOM 197 CD1 ILE A 35 2.743 -20.334 -50.483 1.00 0.00 C ATOM 0 H ILE A 35 4.769 -17.945 -48.137 1.00 0.00 H new ATOM 0 HA ILE A 35 2.976 -19.285 -46.330 1.00 0.00 H new ATOM 0 HB ILE A 35 4.800 -20.393 -48.518 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.886 -19.461 -48.732 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.267 -18.589 -49.368 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.186 -22.286 -48.649 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.964 -22.179 -47.052 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.293 -21.607 -47.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.085 -19.777 -51.150 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.725 -20.437 -50.945 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.322 -21.323 -50.300 1.00 0.00 H new ATOM 209 N ASN A 36 6.226 -19.536 -45.877 1.00 0.00 N ATOM 210 CA ASN A 36 7.315 -20.035 -45.010 1.00 0.00 C ATOM 211 C ASN A 36 7.090 -19.631 -43.531 1.00 0.00 C ATOM 212 O ASN A 36 6.520 -18.573 -43.240 1.00 0.00 O ATOM 213 CB ASN A 36 8.678 -19.527 -45.542 1.00 0.00 C ATOM 214 CG ASN A 36 9.883 -20.039 -44.739 1.00 0.00 C ATOM 215 OD1 ASN A 36 10.341 -19.397 -43.798 1.00 0.00 O ATOM 216 ND2 ASN A 36 10.392 -21.206 -45.090 1.00 0.00 N ATOM 0 H ASN A 36 6.526 -18.816 -46.535 1.00 0.00 H new ATOM 0 HA ASN A 36 7.317 -21.125 -45.039 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.789 -19.833 -46.582 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.680 -18.437 -45.529 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.183 -21.593 -44.575 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.994 -21.721 -45.876 1.00 0.00 H new ATOM 223 N SER A 37 7.571 -20.486 -42.615 1.00 0.00 N ATOM 224 CA SER A 37 7.277 -20.403 -41.170 1.00 0.00 C ATOM 225 C SER A 37 8.023 -19.251 -40.454 1.00 0.00 C ATOM 226 O SER A 37 7.612 -18.856 -39.371 1.00 0.00 O ATOM 227 CB SER A 37 7.615 -21.755 -40.500 1.00 0.00 C ATOM 228 OG SER A 37 8.950 -22.153 -40.802 1.00 0.00 O ATOM 0 H SER A 37 8.183 -21.265 -42.857 1.00 0.00 H new ATOM 0 HA SER A 37 6.214 -20.183 -41.072 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.492 -21.671 -39.420 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.917 -22.519 -40.842 1.00 0.00 H new ATOM 0 HG SER A 37 9.142 -23.010 -40.367 1.00 0.00 H new ATOM 234 N THR A 38 9.101 -18.714 -41.062 1.00 0.00 N ATOM 235 CA THR A 38 9.937 -17.633 -40.458 1.00 0.00 C ATOM 236 C THR A 38 9.143 -16.309 -40.269 1.00 0.00 C ATOM 237 O THR A 38 9.503 -15.457 -39.435 1.00 0.00 O ATOM 238 CB THR A 38 11.226 -17.400 -41.321 1.00 0.00 C ATOM 239 OG1 THR A 38 11.914 -18.657 -41.485 1.00 0.00 O ATOM 240 CG2 THR A 38 12.207 -16.381 -40.701 1.00 0.00 C ATOM 0 H THR A 38 9.423 -19.010 -41.983 1.00 0.00 H new ATOM 0 HA THR A 38 10.234 -17.963 -39.463 1.00 0.00 H new ATOM 0 HB THR A 38 10.895 -16.990 -42.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.542 -19.136 -42.255 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.075 -16.270 -41.351 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.710 -15.417 -40.591 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.530 -16.736 -39.722 1.00 0.00 H new ATOM 248 N ILE A 39 8.030 -16.181 -41.014 1.00 0.00 N ATOM 249 CA ILE A 39 7.138 -15.005 -40.955 1.00 0.00 C ATOM 250 C ILE A 39 6.481 -14.868 -39.560 1.00 0.00 C ATOM 251 O ILE A 39 6.192 -13.752 -39.119 1.00 0.00 O ATOM 252 CB ILE A 39 6.040 -15.072 -42.088 1.00 0.00 C ATOM 253 CG1 ILE A 39 6.706 -15.263 -43.491 1.00 0.00 C ATOM 254 CG2 ILE A 39 5.116 -13.819 -42.084 1.00 0.00 C ATOM 255 CD1 ILE A 39 7.742 -14.214 -43.870 1.00 0.00 C ATOM 0 H ILE A 39 7.721 -16.892 -41.677 1.00 0.00 H new ATOM 0 HA ILE A 39 7.748 -14.118 -41.125 1.00 0.00 H new ATOM 0 HB ILE A 39 5.411 -15.937 -41.877 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.180 -16.244 -43.519 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.923 -15.266 -44.249 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.377 -13.909 -42.880 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.607 -13.745 -41.123 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.716 -12.924 -42.246 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.142 -14.438 -44.859 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.275 -13.229 -43.882 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.552 -14.223 -43.141 1.00 0.00 H new ATOM 267 N GLU A 40 6.303 -16.013 -38.845 1.00 0.00 N ATOM 268 CA GLU A 40 5.694 -16.014 -37.499 1.00 0.00 C ATOM 269 C GLU A 40 6.550 -15.173 -36.526 1.00 0.00 C ATOM 270 O GLU A 40 6.016 -14.454 -35.687 1.00 0.00 O ATOM 271 CB GLU A 40 5.496 -17.461 -36.953 1.00 0.00 C ATOM 272 CG GLU A 40 6.776 -18.179 -36.457 1.00 0.00 C ATOM 273 CD GLU A 40 6.494 -19.533 -35.796 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.405 -20.558 -36.514 1.00 0.00 O ATOM 275 OE2 GLU A 40 6.360 -19.577 -34.550 1.00 0.00 O ATOM 0 H GLU A 40 6.573 -16.937 -39.182 1.00 0.00 H new ATOM 0 HA GLU A 40 4.705 -15.563 -37.580 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.782 -17.423 -36.130 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.045 -18.066 -37.739 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.451 -18.328 -37.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.293 -17.535 -35.745 1.00 0.00 H new ATOM 282 N ASP A 41 7.885 -15.253 -36.702 1.00 0.00 N ATOM 283 CA ASP A 41 8.862 -14.501 -35.899 1.00 0.00 C ATOM 284 C ASP A 41 8.836 -13.018 -36.272 1.00 0.00 C ATOM 285 O ASP A 41 8.919 -12.157 -35.397 1.00 0.00 O ATOM 286 CB ASP A 41 10.290 -15.071 -36.096 1.00 0.00 C ATOM 287 CG ASP A 41 11.357 -14.346 -35.246 1.00 0.00 C ATOM 288 OD1 ASP A 41 11.440 -14.620 -34.029 1.00 0.00 O ATOM 289 OD2 ASP A 41 12.109 -13.490 -35.777 1.00 0.00 O ATOM 0 H ASP A 41 8.315 -15.847 -37.411 1.00 0.00 H new ATOM 0 HA ASP A 41 8.587 -14.605 -34.849 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.290 -16.131 -35.841 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.562 -14.997 -37.149 1.00 0.00 H new ATOM 294 N ALA A 42 8.717 -12.746 -37.584 1.00 0.00 N ATOM 295 CA ALA A 42 8.674 -11.377 -38.134 1.00 0.00 C ATOM 296 C ALA A 42 7.477 -10.582 -37.580 1.00 0.00 C ATOM 297 O ALA A 42 7.584 -9.387 -37.292 1.00 0.00 O ATOM 298 CB ALA A 42 8.646 -11.430 -39.667 1.00 0.00 C ATOM 0 H ALA A 42 8.648 -13.472 -38.297 1.00 0.00 H new ATOM 0 HA ALA A 42 9.576 -10.852 -37.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.614 -10.416 -40.066 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.541 -11.935 -40.030 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.762 -11.977 -39.996 1.00 0.00 H new ATOM 304 N ILE A 43 6.344 -11.282 -37.413 1.00 0.00 N ATOM 305 CA ILE A 43 5.107 -10.707 -36.864 1.00 0.00 C ATOM 306 C ILE A 43 5.153 -10.675 -35.313 1.00 0.00 C ATOM 307 O ILE A 43 4.639 -9.736 -34.686 1.00 0.00 O ATOM 308 CB ILE A 43 3.854 -11.519 -37.374 1.00 0.00 C ATOM 309 CG1 ILE A 43 3.804 -11.550 -38.941 1.00 0.00 C ATOM 310 CG2 ILE A 43 2.533 -10.957 -36.796 1.00 0.00 C ATOM 311 CD1 ILE A 43 3.663 -10.189 -39.620 1.00 0.00 C ATOM 0 H ILE A 43 6.260 -12.269 -37.657 1.00 0.00 H new ATOM 0 HA ILE A 43 5.018 -9.679 -37.216 1.00 0.00 H new ATOM 0 HB ILE A 43 3.963 -12.542 -37.013 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.713 -12.027 -39.307 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.968 -12.179 -39.248 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.694 -11.543 -37.171 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.559 -11.014 -35.708 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.415 -9.917 -37.102 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.638 -10.323 -40.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.739 -9.713 -39.292 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.511 -9.559 -39.352 1.00 0.00 H new ATOM 323 N ALA A 44 5.789 -11.697 -34.704 1.00 0.00 N ATOM 324 CA ALA A 44 5.931 -11.806 -33.232 1.00 0.00 C ATOM 325 C ALA A 44 6.807 -10.666 -32.674 1.00 0.00 C ATOM 326 O ALA A 44 6.527 -10.126 -31.609 1.00 0.00 O ATOM 327 CB ALA A 44 6.516 -13.175 -32.843 1.00 0.00 C ATOM 0 H ALA A 44 6.218 -12.469 -35.214 1.00 0.00 H new ATOM 0 HA ALA A 44 4.938 -11.716 -32.792 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.612 -13.235 -31.759 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.853 -13.967 -33.193 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.498 -13.295 -33.302 1.00 0.00 H new ATOM 333 N ARG A 45 7.863 -10.293 -33.414 1.00 0.00 N ATOM 334 CA ARG A 45 8.781 -9.209 -33.002 1.00 0.00 C ATOM 335 C ARG A 45 8.183 -7.831 -33.330 1.00 0.00 C ATOM 336 O ARG A 45 8.520 -6.836 -32.678 1.00 0.00 O ATOM 337 CB ARG A 45 10.185 -9.393 -33.640 1.00 0.00 C ATOM 338 CG ARG A 45 10.257 -9.186 -35.172 1.00 0.00 C ATOM 339 CD ARG A 45 11.646 -9.527 -35.746 1.00 0.00 C ATOM 340 NE ARG A 45 11.732 -9.265 -37.196 1.00 0.00 N ATOM 341 CZ ARG A 45 12.066 -10.165 -38.139 1.00 0.00 C ATOM 342 NH1 ARG A 45 12.219 -11.446 -37.834 1.00 0.00 N ATOM 343 NH2 ARG A 45 12.192 -9.773 -39.397 1.00 0.00 N ATOM 0 H ARG A 45 8.106 -10.726 -34.305 1.00 0.00 H new ATOM 0 HA ARG A 45 8.908 -9.263 -31.921 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.874 -8.695 -33.165 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.540 -10.398 -33.410 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.504 -9.808 -35.656 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.014 -8.150 -35.408 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.405 -8.941 -35.227 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.868 -10.577 -35.555 1.00 0.00 H new ATOM 0 HE ARG A 45 11.520 -8.318 -37.511 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.083 -11.761 -36.873 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.472 -12.116 -38.560 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.036 -8.796 -39.645 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.445 -10.448 -40.119 1.00 0.00 H new ATOM 357 N ALA A 46 7.275 -7.799 -34.328 1.00 0.00 N ATOM 358 CA ALA A 46 6.604 -6.566 -34.775 1.00 0.00 C ATOM 359 C ALA A 46 5.516 -6.116 -33.783 1.00 0.00 C ATOM 360 O ALA A 46 5.432 -4.931 -33.444 1.00 0.00 O ATOM 361 CB ALA A 46 5.987 -6.777 -36.168 1.00 0.00 C ATOM 0 H ALA A 46 6.988 -8.630 -34.845 1.00 0.00 H new ATOM 0 HA ALA A 46 7.357 -5.779 -34.824 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.493 -5.860 -36.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.772 -7.035 -36.879 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.258 -7.586 -36.124 1.00 0.00 H new ATOM 367 N ARG A 47 4.696 -7.073 -33.307 1.00 0.00 N ATOM 368 CA ARG A 47 3.473 -6.757 -32.529 1.00 0.00 C ATOM 369 C ARG A 47 3.122 -7.825 -31.470 1.00 0.00 C ATOM 370 O ARG A 47 2.132 -7.656 -30.753 1.00 0.00 O ATOM 371 CB ARG A 47 2.277 -6.556 -33.494 1.00 0.00 C ATOM 372 CG ARG A 47 2.011 -7.737 -34.456 1.00 0.00 C ATOM 373 CD ARG A 47 0.573 -7.751 -35.005 1.00 0.00 C ATOM 374 NE ARG A 47 0.173 -6.490 -35.639 1.00 0.00 N ATOM 375 CZ ARG A 47 -0.958 -6.312 -36.333 1.00 0.00 C ATOM 376 NH1 ARG A 47 -1.791 -7.318 -36.572 1.00 0.00 N ATOM 377 NH2 ARG A 47 -1.232 -5.120 -36.808 1.00 0.00 N ATOM 0 H ARG A 47 4.854 -8.071 -33.445 1.00 0.00 H new ATOM 0 HA ARG A 47 3.680 -5.838 -31.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.378 -6.378 -32.903 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.453 -5.657 -34.085 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.712 -7.685 -35.289 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.204 -8.674 -33.934 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.478 -8.559 -35.731 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.116 -7.972 -34.190 1.00 0.00 H new ATOM 0 HE ARG A 47 0.801 -5.692 -35.544 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.575 -8.252 -36.224 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.647 -7.156 -37.103 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.588 -4.346 -36.646 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.089 -4.967 -37.339 1.00 0.00 H new ATOM 391 N GLY A 48 3.926 -8.896 -31.361 1.00 0.00 N ATOM 392 CA GLY A 48 3.666 -9.969 -30.378 1.00 0.00 C ATOM 393 C GLY A 48 2.346 -10.701 -30.623 1.00 0.00 C ATOM 394 O GLY A 48 1.669 -11.103 -29.671 1.00 0.00 O ATOM 0 H GLY A 48 4.756 -9.044 -31.935 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.484 -10.688 -30.409 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.656 -9.541 -29.376 1.00 0.00 H new ATOM 398 N GLU A 49 1.989 -10.843 -31.913 1.00 0.00 N ATOM 399 CA GLU A 49 0.721 -11.469 -32.348 1.00 0.00 C ATOM 400 C GLU A 49 0.722 -12.973 -32.077 1.00 0.00 C ATOM 401 O GLU A 49 -0.275 -13.526 -31.584 1.00 0.00 O ATOM 402 CB GLU A 49 0.502 -11.206 -33.850 1.00 0.00 C ATOM 403 CG GLU A 49 -0.815 -11.756 -34.431 1.00 0.00 C ATOM 404 CD GLU A 49 -0.999 -11.438 -35.925 1.00 0.00 C ATOM 405 OE1 GLU A 49 -1.345 -10.281 -36.256 1.00 0.00 O ATOM 406 OE2 GLU A 49 -0.823 -12.339 -36.774 1.00 0.00 O ATOM 0 H GLU A 49 2.572 -10.526 -32.688 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.093 -11.025 -31.775 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.534 -10.130 -34.022 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.334 -11.642 -34.403 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.843 -12.836 -34.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.653 -11.340 -33.872 1.00 0.00 H new ATOM 413 N ILE A 50 1.840 -13.627 -32.441 1.00 0.00 N ATOM 414 CA ILE A 50 2.047 -15.041 -32.153 1.00 0.00 C ATOM 415 C ILE A 50 2.232 -15.224 -30.628 1.00 0.00 C ATOM 416 O ILE A 50 3.149 -14.635 -30.033 1.00 0.00 O ATOM 417 CB ILE A 50 3.265 -15.650 -32.941 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.001 -15.584 -34.483 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.562 -17.113 -32.483 1.00 0.00 C ATOM 420 CD1 ILE A 50 1.754 -16.335 -34.959 1.00 0.00 C ATOM 0 H ILE A 50 2.614 -13.187 -32.938 1.00 0.00 H new ATOM 0 HA ILE A 50 1.165 -15.586 -32.490 1.00 0.00 H new ATOM 0 HB ILE A 50 4.149 -15.053 -32.717 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.911 -14.538 -34.777 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.870 -15.987 -35.003 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.409 -17.506 -33.046 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.799 -17.120 -31.419 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.686 -17.736 -32.664 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.657 -16.231 -36.040 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.845 -17.391 -34.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.871 -15.919 -34.473 1.00 0.00 H new ATOM 432 N PRO A 51 1.340 -16.031 -29.982 1.00 0.00 N ATOM 433 CA PRO A 51 1.344 -16.244 -28.524 1.00 0.00 C ATOM 434 C PRO A 51 2.331 -17.351 -28.096 1.00 0.00 C ATOM 435 O PRO A 51 3.285 -17.677 -28.815 1.00 0.00 O ATOM 436 CB PRO A 51 -0.131 -16.644 -28.284 1.00 0.00 C ATOM 437 CG PRO A 51 -0.464 -17.480 -29.483 1.00 0.00 C ATOM 438 CD PRO A 51 0.250 -16.814 -30.642 1.00 0.00 C ATOM 0 HA PRO A 51 1.673 -15.381 -27.945 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.249 -17.206 -27.357 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.778 -15.770 -28.212 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.128 -18.508 -29.352 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.540 -17.516 -29.652 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.651 -17.548 -31.341 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.421 -16.168 -31.208 1.00 0.00 H new ATOM 446 N ARG A 52 2.075 -17.913 -26.908 1.00 0.00 N ATOM 447 CA ARG A 52 2.857 -19.011 -26.332 1.00 0.00 C ATOM 448 C ARG A 52 2.470 -20.339 -27.018 1.00 0.00 C ATOM 449 O ARG A 52 1.648 -21.108 -26.504 1.00 0.00 O ATOM 450 CB ARG A 52 2.603 -19.071 -24.799 1.00 0.00 C ATOM 451 CG ARG A 52 2.908 -17.750 -24.050 1.00 0.00 C ATOM 452 CD ARG A 52 2.546 -17.822 -22.558 1.00 0.00 C ATOM 453 NE ARG A 52 2.836 -16.559 -21.853 1.00 0.00 N ATOM 454 CZ ARG A 52 2.363 -16.226 -20.643 1.00 0.00 C ATOM 455 NH1 ARG A 52 1.563 -17.046 -19.978 1.00 0.00 N ATOM 456 NH2 ARG A 52 2.705 -15.069 -20.100 1.00 0.00 N ATOM 0 H ARG A 52 1.305 -17.611 -26.311 1.00 0.00 H new ATOM 0 HA ARG A 52 3.921 -18.843 -26.499 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.561 -19.341 -24.625 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.214 -19.866 -24.372 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.967 -17.514 -24.153 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.354 -16.935 -24.516 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.487 -18.060 -22.454 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.102 -18.634 -22.090 1.00 0.00 H new ATOM 0 HE ARG A 52 3.443 -15.887 -22.322 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.300 -17.943 -20.385 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.210 -16.780 -19.059 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.326 -14.434 -20.601 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.347 -14.812 -19.180 1.00 0.00 H new ATOM 470 N GLY A 53 3.013 -20.558 -28.222 1.00 0.00 N ATOM 471 CA GLY A 53 2.757 -21.773 -28.994 1.00 0.00 C ATOM 472 C GLY A 53 1.900 -21.518 -30.224 1.00 0.00 C ATOM 473 O GLY A 53 1.778 -20.376 -30.691 1.00 0.00 O ATOM 0 H GLY A 53 3.639 -19.899 -28.684 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.707 -22.209 -29.302 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.262 -22.506 -28.357 1.00 0.00 H new ATOM 477 N GLU A 54 1.313 -22.601 -30.752 1.00 0.00 N ATOM 478 CA GLU A 54 0.537 -22.596 -32.008 1.00 0.00 C ATOM 479 C GLU A 54 -0.970 -22.694 -31.710 1.00 0.00 C ATOM 480 O GLU A 54 -1.398 -22.651 -30.548 1.00 0.00 O ATOM 481 CB GLU A 54 0.981 -23.802 -32.881 1.00 0.00 C ATOM 482 CG GLU A 54 2.489 -23.835 -33.216 1.00 0.00 C ATOM 483 CD GLU A 54 2.942 -25.192 -33.779 1.00 0.00 C ATOM 484 OE1 GLU A 54 3.145 -26.132 -32.983 1.00 0.00 O ATOM 485 OE2 GLU A 54 3.064 -25.339 -35.009 1.00 0.00 O ATOM 0 H GLU A 54 1.363 -23.521 -30.315 1.00 0.00 H new ATOM 0 HA GLU A 54 0.722 -21.664 -32.541 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.717 -24.724 -32.364 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.416 -23.786 -33.813 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.713 -23.052 -33.941 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.062 -23.610 -32.316 1.00 0.00 H new ATOM 492 N SER A 55 -1.764 -22.807 -32.785 1.00 0.00 N ATOM 493 CA SER A 55 -3.196 -23.076 -32.705 1.00 0.00 C ATOM 494 C SER A 55 -3.429 -24.539 -32.270 1.00 0.00 C ATOM 495 O SER A 55 -3.145 -25.469 -33.027 1.00 0.00 O ATOM 496 CB SER A 55 -3.830 -22.770 -34.080 1.00 0.00 C ATOM 497 OG SER A 55 -3.114 -23.397 -35.136 1.00 0.00 O ATOM 0 H SER A 55 -1.421 -22.712 -33.741 1.00 0.00 H new ATOM 0 HA SER A 55 -3.669 -22.439 -31.958 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.865 -23.111 -34.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.848 -21.692 -34.241 1.00 0.00 H new ATOM 0 HG SER A 55 -2.905 -24.321 -34.886 1.00 0.00 H new ATOM 503 N LEU A 56 -3.903 -24.717 -31.028 1.00 0.00 N ATOM 504 CA LEU A 56 -4.115 -26.049 -30.405 1.00 0.00 C ATOM 505 C LEU A 56 -5.418 -26.719 -30.906 1.00 0.00 C ATOM 506 O LEU A 56 -6.188 -26.106 -31.650 1.00 0.00 O ATOM 507 CB LEU A 56 -4.074 -25.920 -28.836 1.00 0.00 C ATOM 508 CG LEU A 56 -4.781 -24.668 -28.199 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.285 -24.632 -28.468 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.509 -24.538 -26.688 1.00 0.00 C ATOM 0 H LEU A 56 -4.154 -23.940 -30.416 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.303 -26.708 -30.711 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.527 -26.816 -28.411 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.029 -25.913 -28.525 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.334 -23.808 -28.698 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.717 -23.745 -28.003 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.462 -24.601 -29.543 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.751 -25.524 -28.049 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.021 -23.657 -26.301 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.876 -25.426 -26.174 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.437 -24.438 -26.519 1.00 0.00 H new ATOM 522 N ASP A 57 -5.655 -27.977 -30.471 1.00 0.00 N ATOM 523 CA ASP A 57 -6.855 -28.778 -30.857 1.00 0.00 C ATOM 524 C ASP A 57 -7.816 -28.971 -29.657 1.00 0.00 C ATOM 525 O ASP A 57 -8.891 -29.572 -29.804 1.00 0.00 O ATOM 526 CB ASP A 57 -6.426 -30.156 -31.439 1.00 0.00 C ATOM 527 CG ASP A 57 -5.758 -31.079 -30.400 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.639 -30.772 -29.954 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.350 -32.116 -30.034 1.00 0.00 O ATOM 0 H ASP A 57 -5.023 -28.472 -29.842 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.392 -28.224 -31.627 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.303 -30.658 -31.849 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.736 -29.993 -32.267 1.00 0.00 H new ATOM 534 N GLU A 58 -7.466 -28.376 -28.500 1.00 0.00 N ATOM 535 CA GLU A 58 -8.194 -28.539 -27.216 1.00 0.00 C ATOM 536 C GLU A 58 -8.232 -27.186 -26.482 1.00 0.00 C ATOM 537 O GLU A 58 -7.192 -26.663 -26.080 1.00 0.00 O ATOM 538 CB GLU A 58 -7.527 -29.604 -26.302 1.00 0.00 C ATOM 539 CG GLU A 58 -7.616 -31.048 -26.820 1.00 0.00 C ATOM 540 CD GLU A 58 -6.778 -32.024 -25.986 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.555 -32.099 -26.205 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.336 -32.699 -25.089 1.00 0.00 O ATOM 0 H GLU A 58 -6.658 -27.758 -28.425 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.204 -28.881 -27.442 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.476 -29.344 -26.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.991 -29.558 -25.317 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.657 -31.370 -26.812 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.280 -31.080 -27.857 1.00 0.00 H new ATOM 549 N CYS A 59 -9.442 -26.618 -26.376 1.00 0.00 N ATOM 550 CA CYS A 59 -9.742 -25.390 -25.602 1.00 0.00 C ATOM 551 C CYS A 59 -9.176 -25.473 -24.182 1.00 0.00 C ATOM 552 O CYS A 59 -9.543 -26.369 -23.446 1.00 0.00 O ATOM 553 CB CYS A 59 -11.265 -25.253 -25.547 1.00 0.00 C ATOM 554 SG CYS A 59 -11.939 -23.820 -24.652 1.00 0.00 S ATOM 0 H CYS A 59 -10.266 -27.005 -26.836 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.281 -24.527 -26.082 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.638 -25.218 -26.571 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.669 -26.157 -25.091 1.00 0.00 H new ATOM 559 N GLU A 60 -8.309 -24.526 -23.782 1.00 0.00 N ATOM 560 CA GLU A 60 -7.596 -24.652 -22.480 1.00 0.00 C ATOM 561 C GLU A 60 -8.439 -24.092 -21.303 1.00 0.00 C ATOM 562 O GLU A 60 -7.934 -23.927 -20.187 1.00 0.00 O ATOM 563 CB GLU A 60 -6.191 -23.996 -22.556 1.00 0.00 C ATOM 564 CG GLU A 60 -6.194 -22.507 -22.921 1.00 0.00 C ATOM 565 CD GLU A 60 -4.796 -21.869 -22.859 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.034 -21.976 -23.840 1.00 0.00 O ATOM 567 OE2 GLU A 60 -4.446 -21.279 -21.823 1.00 0.00 O ATOM 0 H GLU A 60 -8.084 -23.687 -24.316 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.453 -25.714 -22.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.696 -24.118 -21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.594 -24.535 -23.292 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.598 -22.386 -23.926 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.861 -21.974 -22.243 1.00 0.00 H new ATOM 574 N GLU A 61 -9.743 -23.831 -21.564 1.00 0.00 N ATOM 575 CA GLU A 61 -10.706 -23.380 -20.542 1.00 0.00 C ATOM 576 C GLU A 61 -11.725 -24.493 -20.216 1.00 0.00 C ATOM 577 O GLU A 61 -12.141 -24.637 -19.066 1.00 0.00 O ATOM 578 CB GLU A 61 -11.455 -22.126 -21.038 1.00 0.00 C ATOM 579 CG GLU A 61 -10.556 -21.001 -21.564 1.00 0.00 C ATOM 580 CD GLU A 61 -9.502 -20.509 -20.564 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.880 -19.932 -19.526 1.00 0.00 O ATOM 582 OE2 GLU A 61 -8.288 -20.679 -20.821 1.00 0.00 O ATOM 0 H GLU A 61 -10.153 -23.929 -22.493 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.150 -23.139 -19.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.143 -22.422 -21.830 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.060 -21.735 -20.220 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.050 -21.349 -22.465 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.183 -20.158 -21.856 1.00 0.00 H new ATOM 589 N CYS A 62 -12.128 -25.277 -21.251 1.00 0.00 N ATOM 590 CA CYS A 62 -13.197 -26.305 -21.092 1.00 0.00 C ATOM 591 C CYS A 62 -12.910 -27.593 -21.905 1.00 0.00 C ATOM 592 O CYS A 62 -13.807 -28.423 -22.080 1.00 0.00 O ATOM 593 CB CYS A 62 -14.583 -25.699 -21.467 1.00 0.00 C ATOM 594 SG CYS A 62 -14.991 -25.654 -23.250 1.00 0.00 S ATOM 0 H CYS A 62 -11.737 -25.221 -22.191 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.212 -26.602 -20.043 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.356 -26.270 -20.953 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -14.628 -24.681 -21.080 1.00 0.00 H new ATOM 599 N GLY A 63 -11.647 -27.756 -22.365 1.00 0.00 N ATOM 600 CA GLY A 63 -11.174 -28.943 -23.137 1.00 0.00 C ATOM 601 C GLY A 63 -11.982 -29.313 -24.377 1.00 0.00 C ATOM 602 O GLY A 63 -11.824 -30.415 -24.908 1.00 0.00 O ATOM 0 H GLY A 63 -10.915 -27.062 -22.212 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.143 -28.763 -23.442 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.163 -29.803 -22.468 1.00 0.00 H new ATOM 606 N ALA A 64 -12.808 -28.378 -24.863 1.00 0.00 N ATOM 607 CA ALA A 64 -13.726 -28.625 -25.992 1.00 0.00 C ATOM 608 C ALA A 64 -12.967 -28.587 -27.338 1.00 0.00 C ATOM 609 O ALA A 64 -12.025 -27.788 -27.476 1.00 0.00 O ATOM 610 CB ALA A 64 -14.867 -27.600 -25.976 1.00 0.00 C ATOM 0 H ALA A 64 -12.862 -27.431 -24.489 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.154 -29.621 -25.881 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.539 -27.790 -26.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.419 -27.685 -25.040 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.454 -26.595 -26.064 1.00 0.00 H new ATOM 616 N PRO A 65 -13.373 -29.444 -28.344 1.00 0.00 N ATOM 617 CA PRO A 65 -12.728 -29.511 -29.684 1.00 0.00 C ATOM 618 C PRO A 65 -12.580 -28.130 -30.352 1.00 0.00 C ATOM 619 O PRO A 65 -13.568 -27.409 -30.530 1.00 0.00 O ATOM 620 CB PRO A 65 -13.695 -30.405 -30.501 1.00 0.00 C ATOM 621 CG PRO A 65 -14.329 -31.296 -29.481 1.00 0.00 C ATOM 622 CD PRO A 65 -14.480 -30.444 -28.238 1.00 0.00 C ATOM 0 HA PRO A 65 -11.710 -29.897 -29.620 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.441 -29.808 -31.025 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.161 -30.982 -31.256 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.296 -31.662 -29.826 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.709 -32.171 -29.284 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.455 -29.957 -28.204 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.391 -31.042 -27.331 1.00 0.00 H new ATOM 630 N ILE A 66 -11.331 -27.747 -30.638 1.00 0.00 N ATOM 631 CA ILE A 66 -11.020 -26.560 -31.442 1.00 0.00 C ATOM 632 C ILE A 66 -11.247 -26.883 -32.938 1.00 0.00 C ATOM 633 O ILE A 66 -10.555 -27.753 -33.487 1.00 0.00 O ATOM 634 CB ILE A 66 -9.534 -26.101 -31.221 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.255 -25.875 -29.716 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.204 -24.830 -32.041 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.775 -24.594 -29.154 1.00 0.00 C ATOM 0 H ILE A 66 -10.505 -28.253 -30.318 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.677 -25.748 -31.131 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.882 -26.898 -31.578 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.691 -26.702 -29.155 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.178 -25.912 -29.554 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.168 -24.541 -31.864 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.347 -25.034 -33.102 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.864 -24.018 -31.735 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.527 -24.534 -28.094 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.321 -23.755 -29.681 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.858 -24.556 -29.276 1.00 0.00 H new ATOM 649 N PRO A 67 -12.236 -26.204 -33.619 1.00 0.00 N ATOM 650 CA PRO A 67 -12.453 -26.382 -35.070 1.00 0.00 C ATOM 651 C PRO A 67 -11.305 -25.732 -35.880 1.00 0.00 C ATOM 652 O PRO A 67 -10.721 -24.716 -35.441 1.00 0.00 O ATOM 653 CB PRO A 67 -13.812 -25.678 -35.312 1.00 0.00 C ATOM 654 CG PRO A 67 -13.874 -24.622 -34.257 1.00 0.00 C ATOM 655 CD PRO A 67 -13.199 -25.221 -33.040 1.00 0.00 C ATOM 0 HA PRO A 67 -12.465 -27.425 -35.387 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.864 -25.245 -36.311 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.643 -26.377 -35.224 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.365 -23.714 -34.581 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.906 -24.347 -34.037 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.688 -24.460 -32.450 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.919 -25.706 -32.381 1.00 0.00 H new ATOM 663 N GLN A 68 -11.002 -26.314 -37.055 1.00 0.00 N ATOM 664 CA GLN A 68 -9.899 -25.865 -37.927 1.00 0.00 C ATOM 665 C GLN A 68 -10.098 -24.414 -38.403 1.00 0.00 C ATOM 666 O GLN A 68 -9.124 -23.730 -38.720 1.00 0.00 O ATOM 667 CB GLN A 68 -9.731 -26.797 -39.157 1.00 0.00 C ATOM 668 CG GLN A 68 -10.943 -26.832 -40.140 1.00 0.00 C ATOM 669 CD GLN A 68 -10.543 -26.773 -41.623 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.532 -25.969 -41.953 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.192 -27.381 -42.480 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.517 -27.112 -37.428 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.992 -25.909 -37.324 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.845 -26.485 -39.710 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.544 -27.810 -38.801 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.515 -27.743 -39.964 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.603 -25.993 -39.918 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.961 -27.990 -42.201 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.959 -27.274 -43.467 1.00 0.00 H new ATOM 680 N ALA A 69 -11.377 -23.971 -38.421 1.00 0.00 N ATOM 681 CA ALA A 69 -11.781 -22.604 -38.795 1.00 0.00 C ATOM 682 C ALA A 69 -11.093 -21.563 -37.900 1.00 0.00 C ATOM 683 O ALA A 69 -10.572 -20.565 -38.386 1.00 0.00 O ATOM 684 CB ALA A 69 -13.312 -22.471 -38.701 1.00 0.00 C ATOM 0 H ALA A 69 -12.166 -24.567 -38.171 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.469 -22.417 -39.823 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.607 -21.459 -38.978 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.781 -23.184 -39.378 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.633 -22.676 -37.680 1.00 0.00 H new ATOM 690 N ARG A 70 -11.078 -21.842 -36.589 1.00 0.00 N ATOM 691 CA ARG A 70 -10.439 -20.980 -35.578 1.00 0.00 C ATOM 692 C ARG A 70 -8.905 -21.083 -35.636 1.00 0.00 C ATOM 693 O ARG A 70 -8.214 -20.110 -35.355 1.00 0.00 O ATOM 694 CB ARG A 70 -10.986 -21.319 -34.163 1.00 0.00 C ATOM 695 CG ARG A 70 -12.517 -21.107 -33.981 1.00 0.00 C ATOM 696 CD ARG A 70 -12.952 -19.613 -33.991 1.00 0.00 C ATOM 697 NE ARG A 70 -12.812 -18.963 -35.314 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.899 -17.642 -35.547 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.159 -16.780 -34.580 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.701 -17.186 -36.760 1.00 0.00 N ATOM 0 H ARG A 70 -11.511 -22.677 -36.195 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.691 -19.943 -35.801 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.749 -22.359 -33.938 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.460 -20.707 -33.430 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.044 -21.634 -34.776 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.827 -21.559 -33.039 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.991 -19.544 -33.670 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.356 -19.065 -33.261 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.635 -19.568 -36.116 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.300 -17.111 -33.626 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.219 -15.783 -34.788 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.483 -17.832 -37.518 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.765 -16.185 -36.945 1.00 0.00 H new ATOM 714 N ARG A 71 -8.392 -22.276 -36.006 1.00 0.00 N ATOM 715 CA ARG A 71 -6.935 -22.546 -36.068 1.00 0.00 C ATOM 716 C ARG A 71 -6.259 -21.807 -37.247 1.00 0.00 C ATOM 717 O ARG A 71 -5.101 -21.383 -37.142 1.00 0.00 O ATOM 718 CB ARG A 71 -6.667 -24.076 -36.153 1.00 0.00 C ATOM 719 CG ARG A 71 -7.318 -24.894 -35.019 1.00 0.00 C ATOM 720 CD ARG A 71 -6.976 -26.396 -35.048 1.00 0.00 C ATOM 721 NE ARG A 71 -5.589 -26.676 -34.612 1.00 0.00 N ATOM 722 CZ ARG A 71 -5.083 -27.906 -34.405 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.800 -28.990 -34.660 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.852 -28.039 -33.939 1.00 0.00 N ATOM 0 H ARG A 71 -8.969 -23.075 -36.269 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.492 -22.162 -35.149 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.035 -24.446 -37.110 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.591 -24.247 -36.138 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.004 -24.480 -34.061 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.400 -24.778 -35.077 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.671 -26.935 -34.404 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.118 -26.777 -36.059 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.972 -25.879 -34.457 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.751 -28.900 -35.019 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.402 -29.915 -34.498 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.291 -27.211 -33.738 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.464 -28.969 -33.781 1.00 0.00 H new ATOM 738 N GLU A 72 -6.998 -21.652 -38.365 1.00 0.00 N ATOM 739 CA GLU A 72 -6.485 -20.977 -39.581 1.00 0.00 C ATOM 740 C GLU A 72 -6.727 -19.461 -39.490 1.00 0.00 C ATOM 741 O GLU A 72 -5.860 -18.657 -39.854 1.00 0.00 O ATOM 742 CB GLU A 72 -7.128 -21.575 -40.866 1.00 0.00 C ATOM 743 CG GLU A 72 -8.665 -21.451 -40.956 1.00 0.00 C ATOM 744 CD GLU A 72 -9.243 -22.008 -42.257 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.572 -23.205 -42.309 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.352 -21.253 -43.246 1.00 0.00 O ATOM 0 H GLU A 72 -7.958 -21.986 -38.453 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.410 -21.148 -39.644 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.689 -21.083 -41.734 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.861 -22.630 -40.928 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.115 -21.976 -40.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.944 -20.401 -40.863 1.00 0.00 H new ATOM 753 N ALA A 73 -7.922 -19.090 -38.976 1.00 0.00 N ATOM 754 CA ALA A 73 -8.312 -17.680 -38.782 1.00 0.00 C ATOM 755 C ALA A 73 -7.453 -17.013 -37.702 1.00 0.00 C ATOM 756 O ALA A 73 -7.201 -15.807 -37.760 1.00 0.00 O ATOM 757 CB ALA A 73 -9.803 -17.558 -38.425 1.00 0.00 C ATOM 0 H ALA A 73 -8.637 -19.757 -38.687 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.142 -17.163 -39.726 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.060 -16.507 -38.288 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.406 -17.977 -39.231 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.002 -18.103 -37.502 1.00 0.00 H new ATOM 763 N ILE A 74 -7.031 -17.803 -36.694 1.00 0.00 N ATOM 764 CA ILE A 74 -6.196 -17.320 -35.580 1.00 0.00 C ATOM 765 C ILE A 74 -5.013 -18.302 -35.372 1.00 0.00 C ATOM 766 O ILE A 74 -5.193 -19.355 -34.734 1.00 0.00 O ATOM 767 CB ILE A 74 -7.021 -17.164 -34.240 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.339 -16.352 -34.491 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.152 -16.509 -33.122 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.150 -16.034 -33.256 1.00 0.00 C ATOM 0 H ILE A 74 -7.261 -18.795 -36.631 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.822 -16.330 -35.839 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.304 -18.159 -33.895 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.080 -15.416 -34.986 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.966 -16.915 -35.182 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.743 -16.413 -32.211 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.281 -17.134 -32.925 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.824 -15.522 -33.447 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.039 -15.471 -33.540 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.448 -16.962 -32.768 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.548 -15.439 -32.569 1.00 0.00 H new ATOM 782 N PRO A 75 -3.801 -18.000 -35.955 1.00 0.00 N ATOM 783 CA PRO A 75 -2.568 -18.787 -35.712 1.00 0.00 C ATOM 784 C PRO A 75 -2.087 -18.612 -34.252 1.00 0.00 C ATOM 785 O PRO A 75 -1.263 -17.738 -33.935 1.00 0.00 O ATOM 786 CB PRO A 75 -1.566 -18.222 -36.756 1.00 0.00 C ATOM 787 CG PRO A 75 -2.045 -16.824 -37.012 1.00 0.00 C ATOM 788 CD PRO A 75 -3.554 -16.888 -36.911 1.00 0.00 C ATOM 0 HA PRO A 75 -2.701 -19.863 -35.827 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.546 -18.229 -36.372 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.567 -18.816 -37.670 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.632 -16.128 -36.282 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.732 -16.476 -37.996 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.970 -15.949 -36.547 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.011 -17.085 -37.880 1.00 0.00 H new ATOM 796 N GLY A 76 -2.680 -19.420 -33.367 1.00 0.00 N ATOM 797 CA GLY A 76 -2.442 -19.350 -31.929 1.00 0.00 C ATOM 798 C GLY A 76 -3.731 -19.194 -31.146 1.00 0.00 C ATOM 799 O GLY A 76 -3.779 -18.468 -30.143 1.00 0.00 O ATOM 0 H GLY A 76 -3.344 -20.146 -33.635 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.927 -20.253 -31.603 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.782 -18.510 -31.711 1.00 0.00 H new ATOM 803 N VAL A 77 -4.795 -19.872 -31.618 1.00 0.00 N ATOM 804 CA VAL A 77 -6.085 -19.919 -30.920 1.00 0.00 C ATOM 805 C VAL A 77 -5.956 -20.823 -29.677 1.00 0.00 C ATOM 806 O VAL A 77 -5.245 -21.832 -29.718 1.00 0.00 O ATOM 807 CB VAL A 77 -7.243 -20.421 -31.867 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.992 -21.858 -32.392 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.628 -20.320 -31.176 1.00 0.00 C ATOM 0 H VAL A 77 -4.780 -20.399 -32.491 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.350 -18.909 -30.607 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.247 -19.757 -32.731 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.816 -22.158 -33.039 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.060 -21.881 -32.957 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.923 -22.546 -31.550 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.401 -20.674 -31.858 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.630 -20.933 -30.275 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.827 -19.282 -30.910 1.00 0.00 H new ATOM 819 N ARG A 78 -6.619 -20.432 -28.577 1.00 0.00 N ATOM 820 CA ARG A 78 -6.579 -21.163 -27.289 1.00 0.00 C ATOM 821 C ARG A 78 -7.999 -21.373 -26.715 1.00 0.00 C ATOM 822 O ARG A 78 -8.172 -21.833 -25.579 1.00 0.00 O ATOM 823 CB ARG A 78 -5.588 -20.443 -26.304 1.00 0.00 C ATOM 824 CG ARG A 78 -5.519 -18.892 -26.404 1.00 0.00 C ATOM 825 CD ARG A 78 -6.756 -18.166 -25.840 1.00 0.00 C ATOM 826 NE ARG A 78 -6.665 -17.883 -24.391 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.161 -18.637 -23.390 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.697 -19.818 -23.617 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.089 -18.201 -22.150 1.00 0.00 N ATOM 0 H ARG A 78 -7.203 -19.596 -28.550 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.190 -22.169 -27.448 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.867 -20.708 -25.284 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.588 -20.841 -26.474 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.634 -18.544 -25.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.393 -18.612 -27.450 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.893 -17.228 -26.377 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.641 -18.773 -26.029 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.176 -17.029 -24.122 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.744 -20.182 -24.569 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.065 -20.369 -22.841 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.660 -17.297 -21.951 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.463 -18.767 -21.388 1.00 0.00 H new ATOM 843 N LEU A 79 -9.019 -21.094 -27.546 1.00 0.00 N ATOM 844 CA LEU A 79 -10.447 -21.130 -27.153 1.00 0.00 C ATOM 845 C LEU A 79 -11.276 -21.840 -28.229 1.00 0.00 C ATOM 846 O LEU A 79 -11.099 -21.570 -29.422 1.00 0.00 O ATOM 847 CB LEU A 79 -10.979 -19.686 -26.988 1.00 0.00 C ATOM 848 CG LEU A 79 -10.315 -18.846 -25.869 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.521 -17.340 -26.080 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.816 -19.287 -24.495 1.00 0.00 C ATOM 0 H LEU A 79 -8.878 -20.834 -28.522 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.534 -21.671 -26.211 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.850 -19.161 -27.935 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.050 -19.734 -26.793 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.241 -19.027 -25.917 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.039 -16.790 -25.272 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.083 -17.043 -27.033 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.588 -17.116 -26.085 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.338 -18.685 -23.723 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.897 -19.154 -24.442 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.572 -20.338 -24.339 1.00 0.00 H new ATOM 862 N CYS A 80 -12.171 -22.767 -27.812 1.00 0.00 N ATOM 863 CA CYS A 80 -13.121 -23.444 -28.746 1.00 0.00 C ATOM 864 C CYS A 80 -14.134 -22.420 -29.211 1.00 0.00 C ATOM 865 O CYS A 80 -14.382 -21.488 -28.460 1.00 0.00 O ATOM 866 CB CYS A 80 -13.825 -24.644 -28.071 1.00 0.00 C ATOM 867 SG CYS A 80 -15.060 -24.183 -26.810 1.00 0.00 S ATOM 0 H CYS A 80 -12.260 -23.066 -26.841 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.569 -23.843 -29.597 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.315 -25.241 -28.840 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.070 -25.278 -27.607 1.00 0.00 H new ATOM 872 N ILE A 81 -14.760 -22.622 -30.399 1.00 0.00 N ATOM 873 CA ILE A 81 -15.555 -21.569 -31.098 1.00 0.00 C ATOM 874 C ILE A 81 -16.622 -20.922 -30.177 1.00 0.00 C ATOM 875 O ILE A 81 -16.963 -19.771 -30.344 1.00 0.00 O ATOM 876 CB ILE A 81 -16.234 -22.126 -32.416 1.00 0.00 C ATOM 877 CG1 ILE A 81 -16.874 -20.971 -33.272 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.278 -23.225 -32.088 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.570 -21.420 -34.551 1.00 0.00 C ATOM 0 H ILE A 81 -14.731 -23.511 -30.899 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.845 -20.791 -31.377 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.448 -22.581 -33.019 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.596 -20.439 -32.652 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.092 -20.259 -33.534 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.727 -23.588 -33.013 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.787 -24.052 -31.574 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.055 -22.809 -31.446 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.977 -20.551 -35.068 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.852 -21.924 -35.198 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.379 -22.107 -34.303 1.00 0.00 H new ATOM 891 N HIS A 82 -17.073 -21.676 -29.168 1.00 0.00 N ATOM 892 CA HIS A 82 -18.086 -21.235 -28.185 1.00 0.00 C ATOM 893 C HIS A 82 -17.485 -20.208 -27.191 1.00 0.00 C ATOM 894 O HIS A 82 -18.059 -19.140 -26.979 1.00 0.00 O ATOM 895 CB HIS A 82 -18.662 -22.475 -27.454 1.00 0.00 C ATOM 896 CG HIS A 82 -19.110 -23.551 -28.411 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.322 -23.525 -29.062 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.459 -24.645 -28.882 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.394 -24.544 -29.895 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.279 -25.238 -29.802 1.00 0.00 N ATOM 0 H HIS A 82 -16.743 -22.627 -29.003 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.900 -20.729 -28.705 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.905 -22.882 -26.783 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.505 -22.169 -26.835 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.477 -24.984 -28.586 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.227 -24.771 -30.544 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.062 -26.082 -30.331 1.00 0.00 H new ATOM 909 N CYS A 83 -16.301 -20.528 -26.621 1.00 0.00 N ATOM 910 CA CYS A 83 -15.554 -19.589 -25.741 1.00 0.00 C ATOM 911 C CYS A 83 -14.830 -18.513 -26.582 1.00 0.00 C ATOM 912 O CYS A 83 -14.453 -17.471 -26.059 1.00 0.00 O ATOM 913 CB CYS A 83 -14.498 -20.339 -24.884 1.00 0.00 C ATOM 914 SG CYS A 83 -15.109 -21.759 -23.916 1.00 0.00 S ATOM 0 H CYS A 83 -15.839 -21.428 -26.752 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.283 -19.117 -25.082 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.706 -20.691 -25.546 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.045 -19.625 -24.196 1.00 0.00 H new ATOM 919 N GLN A 84 -14.615 -18.800 -27.882 1.00 0.00 N ATOM 920 CA GLN A 84 -13.802 -17.949 -28.768 1.00 0.00 C ATOM 921 C GLN A 84 -14.639 -16.797 -29.342 1.00 0.00 C ATOM 922 O GLN A 84 -14.189 -15.668 -29.315 1.00 0.00 O ATOM 923 CB GLN A 84 -13.167 -18.801 -29.920 1.00 0.00 C ATOM 924 CG GLN A 84 -11.790 -18.323 -30.452 1.00 0.00 C ATOM 925 CD GLN A 84 -11.783 -16.886 -30.972 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.079 -16.642 -32.127 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.403 -15.929 -30.135 1.00 0.00 N ATOM 0 H GLN A 84 -14.999 -19.625 -28.343 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.995 -17.516 -28.176 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.060 -19.827 -29.567 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.867 -18.823 -30.755 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.054 -18.412 -29.653 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.472 -18.989 -31.254 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.160 -16.161 -29.172 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.354 -14.962 -30.455 1.00 0.00 H new ATOM 936 N GLN A 85 -15.851 -17.109 -29.841 1.00 0.00 N ATOM 937 CA GLN A 85 -16.709 -16.156 -30.599 1.00 0.00 C ATOM 938 C GLN A 85 -16.991 -14.869 -29.795 1.00 0.00 C ATOM 939 O GLN A 85 -16.976 -13.771 -30.352 1.00 0.00 O ATOM 940 CB GLN A 85 -18.046 -16.834 -31.023 1.00 0.00 C ATOM 941 CG GLN A 85 -18.883 -17.390 -29.847 1.00 0.00 C ATOM 942 CD GLN A 85 -20.141 -18.130 -30.291 1.00 0.00 C ATOM 943 OE1 GLN A 85 -21.221 -17.553 -30.393 1.00 0.00 O ATOM 944 NE2 GLN A 85 -19.999 -19.409 -30.600 1.00 0.00 N ATOM 0 H GLN A 85 -16.271 -18.032 -29.733 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.159 -15.871 -31.496 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.649 -16.110 -31.571 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.823 -17.649 -31.712 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.263 -18.065 -29.258 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.168 -16.566 -29.193 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.089 -19.859 -30.504 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -20.800 -19.945 -30.934 1.00 0.00 H new ATOM 953 N GLU A 86 -17.212 -15.036 -28.475 1.00 0.00 N ATOM 954 CA GLU A 86 -17.444 -13.918 -27.540 1.00 0.00 C ATOM 955 C GLU A 86 -16.179 -13.044 -27.400 1.00 0.00 C ATOM 956 O GLU A 86 -16.273 -11.817 -27.346 1.00 0.00 O ATOM 957 CB GLU A 86 -17.903 -14.460 -26.161 1.00 0.00 C ATOM 958 CG GLU A 86 -16.922 -15.454 -25.521 1.00 0.00 C ATOM 959 CD GLU A 86 -17.392 -15.983 -24.167 1.00 0.00 C ATOM 960 OE1 GLU A 86 -17.117 -15.331 -23.139 1.00 0.00 O ATOM 961 OE2 GLU A 86 -18.046 -17.048 -24.126 1.00 0.00 O ATOM 0 H GLU A 86 -17.234 -15.952 -28.027 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.237 -13.288 -27.943 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -18.047 -13.620 -25.482 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.872 -14.946 -26.277 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.773 -16.294 -26.199 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.954 -14.969 -25.397 1.00 0.00 H new ATOM 968 N LYS A 87 -14.994 -13.693 -27.377 1.00 0.00 N ATOM 969 CA LYS A 87 -13.696 -12.998 -27.259 1.00 0.00 C ATOM 970 C LYS A 87 -13.299 -12.366 -28.601 1.00 0.00 C ATOM 971 O LYS A 87 -12.600 -11.359 -28.632 1.00 0.00 O ATOM 972 CB LYS A 87 -12.594 -13.979 -26.775 1.00 0.00 C ATOM 973 CG LYS A 87 -12.938 -14.723 -25.465 1.00 0.00 C ATOM 974 CD LYS A 87 -13.298 -13.789 -24.295 1.00 0.00 C ATOM 975 CE LYS A 87 -13.700 -14.570 -23.034 1.00 0.00 C ATOM 976 NZ LYS A 87 -14.216 -13.674 -21.979 1.00 0.00 N ATOM 0 H LYS A 87 -14.912 -14.708 -27.439 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.799 -12.203 -26.520 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.408 -14.714 -27.559 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.667 -13.424 -26.632 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.774 -15.397 -25.650 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.088 -15.341 -25.176 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.446 -13.148 -24.068 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.118 -13.135 -24.593 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.461 -15.307 -23.290 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.838 -15.119 -22.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.477 -14.236 -21.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.481 -12.986 -21.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.054 -13.168 -22.332 1.00 0.00 H new ATOM 990 N ASP A 88 -13.779 -12.971 -29.699 1.00 0.00 N ATOM 991 CA ASP A 88 -13.451 -12.570 -31.074 1.00 0.00 C ATOM 992 C ASP A 88 -14.116 -11.225 -31.432 1.00 0.00 C ATOM 993 O ASP A 88 -13.643 -10.494 -32.316 1.00 0.00 O ATOM 994 CB ASP A 88 -13.849 -13.701 -32.064 1.00 0.00 C ATOM 995 CG ASP A 88 -13.189 -13.592 -33.451 1.00 0.00 C ATOM 996 OD1 ASP A 88 -11.977 -13.257 -33.538 1.00 0.00 O ATOM 997 OD2 ASP A 88 -13.854 -13.905 -34.459 1.00 0.00 O ATOM 0 H ASP A 88 -14.417 -13.766 -29.654 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.375 -12.418 -31.153 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.585 -14.662 -31.624 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.932 -13.694 -32.189 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.202 -10.903 -30.699 1.00 0.00 N ATOM 1003 CA LEU A 89 -15.864 -9.583 -30.758 1.00 0.00 C ATOM 1004 C LEU A 89 -14.948 -8.499 -30.150 1.00 0.00 C ATOM 1005 O LEU A 89 -14.853 -7.384 -30.668 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.210 -9.610 -29.974 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.165 -10.808 -30.266 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -19.477 -10.706 -29.451 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.444 -10.970 -31.786 1.00 0.00 C ATOM 0 H LEU A 89 -15.645 -11.552 -30.049 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.062 -9.350 -31.804 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.983 -9.607 -28.908 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -17.747 -8.686 -30.188 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.651 -11.712 -29.938 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.116 -11.558 -29.682 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.245 -10.705 -28.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -19.996 -9.783 -29.710 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.113 -11.816 -31.945 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -18.909 -10.062 -32.169 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.505 -11.146 -32.311 1.00 0.00 H new ATOM 1021 N GLN A 90 -14.272 -8.875 -29.049 1.00 0.00 N ATOM 1022 CA GLN A 90 -13.530 -7.945 -28.175 1.00 0.00 C ATOM 1023 C GLN A 90 -12.196 -7.557 -28.822 1.00 0.00 C ATOM 1024 O GLN A 90 -11.824 -6.379 -28.856 1.00 0.00 O ATOM 1025 CB GLN A 90 -13.272 -8.599 -26.779 1.00 0.00 C ATOM 1026 CG GLN A 90 -14.471 -9.377 -26.192 1.00 0.00 C ATOM 1027 CD GLN A 90 -15.728 -8.541 -25.967 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -15.669 -7.345 -25.685 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -16.885 -9.180 -26.069 1.00 0.00 N ATOM 0 H GLN A 90 -14.225 -9.845 -28.737 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.132 -7.047 -28.038 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.424 -9.278 -26.864 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.986 -7.817 -26.075 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.715 -10.201 -26.863 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.170 -9.818 -25.242 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -16.901 -10.172 -26.304 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -17.760 -8.679 -25.912 1.00 0.00 H new ATOM 1038 N LYS A 91 -11.495 -8.576 -29.340 1.00 0.00 N ATOM 1039 CA LYS A 91 -10.162 -8.419 -29.946 1.00 0.00 C ATOM 1040 C LYS A 91 -10.253 -7.653 -31.287 1.00 0.00 C ATOM 1041 O LYS A 91 -11.034 -8.034 -32.167 1.00 0.00 O ATOM 1042 CB LYS A 91 -9.470 -9.806 -30.141 1.00 0.00 C ATOM 1043 CG LYS A 91 -10.345 -10.860 -30.846 1.00 0.00 C ATOM 1044 CD LYS A 91 -9.713 -12.279 -30.897 1.00 0.00 C ATOM 1045 CE LYS A 91 -8.632 -12.408 -31.968 1.00 0.00 C ATOM 1046 NZ LYS A 91 -9.181 -12.194 -33.330 1.00 0.00 N ATOM 0 H LYS A 91 -11.837 -9.537 -29.351 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.549 -7.831 -29.263 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.556 -9.665 -30.719 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.174 -10.191 -29.165 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.306 -10.920 -30.334 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.546 -10.527 -31.864 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.283 -12.515 -29.924 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.496 -13.014 -31.087 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.841 -11.683 -31.776 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.178 -13.397 -31.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.582 -12.681 -34.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.148 -12.575 -33.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.199 -11.176 -33.541 1.00 0.00 H new ATOM 1060 N PRO A 92 -9.460 -6.540 -31.457 1.00 0.00 N ATOM 1061 CA PRO A 92 -9.419 -5.759 -32.721 1.00 0.00 C ATOM 1062 C PRO A 92 -8.668 -6.479 -33.865 1.00 0.00 C ATOM 1063 O PRO A 92 -8.644 -5.971 -34.988 1.00 0.00 O ATOM 1064 CB PRO A 92 -8.705 -4.455 -32.289 1.00 0.00 C ATOM 1065 CG PRO A 92 -7.811 -4.868 -31.165 1.00 0.00 C ATOM 1066 CD PRO A 92 -8.572 -5.934 -30.413 1.00 0.00 C ATOM 0 HA PRO A 92 -10.412 -5.598 -33.142 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.134 -4.025 -33.112 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.421 -3.699 -31.968 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.863 -5.254 -31.539 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.578 -4.022 -30.518 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.900 -6.675 -29.979 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.151 -5.509 -29.593 1.00 0.00 H new ATOM 1074 N ALA A 93 -8.065 -7.656 -33.546 1.00 0.00 N ATOM 1075 CA ALA A 93 -7.243 -8.468 -34.479 1.00 0.00 C ATOM 1076 C ALA A 93 -5.932 -7.735 -34.853 1.00 0.00 C ATOM 1077 O ALA A 93 -5.307 -8.016 -35.883 1.00 0.00 O ATOM 1078 CB ALA A 93 -8.051 -8.906 -35.719 1.00 0.00 C ATOM 0 H ALA A 93 -8.139 -8.072 -32.618 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.957 -9.383 -33.961 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.415 -9.498 -36.377 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.905 -9.506 -35.404 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.405 -8.024 -36.253 1.00 0.00 H new ATOM 1084 N TYR A 94 -5.510 -6.825 -33.962 1.00 0.00 N ATOM 1085 CA TYR A 94 -4.222 -6.118 -34.041 1.00 0.00 C ATOM 1086 C TYR A 94 -3.841 -5.613 -32.642 1.00 0.00 C ATOM 1087 O TYR A 94 -4.684 -5.589 -31.736 1.00 0.00 O ATOM 1088 CB TYR A 94 -4.262 -4.946 -35.079 1.00 0.00 C ATOM 1089 CG TYR A 94 -5.227 -3.774 -34.773 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -4.871 -2.738 -33.897 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -6.494 -3.708 -35.356 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -5.733 -1.696 -33.632 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -7.355 -2.663 -35.090 1.00 0.00 C ATOM 1094 CZ TYR A 94 -6.978 -1.671 -34.221 1.00 0.00 C ATOM 1095 OH TYR A 94 -7.840 -0.637 -33.943 1.00 0.00 O ATOM 0 H TYR A 94 -6.065 -6.554 -33.150 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.461 -6.814 -34.393 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.254 -4.541 -35.173 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.530 -5.362 -36.050 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.902 -2.757 -33.421 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.807 -4.492 -36.030 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.433 -0.901 -32.965 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.324 -2.626 -35.565 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.676 -0.766 -34.438 1.00 0.00 H new ATOM 1105 N THR A 95 -2.574 -5.213 -32.465 1.00 0.00 N ATOM 1106 CA THR A 95 -2.089 -4.619 -31.208 1.00 0.00 C ATOM 1107 C THR A 95 -1.541 -3.207 -31.500 1.00 0.00 C ATOM 1108 O THR A 95 -0.384 -3.035 -31.909 1.00 0.00 O ATOM 1109 CB THR A 95 -1.012 -5.532 -30.540 1.00 0.00 C ATOM 1110 OG1 THR A 95 0.010 -5.827 -31.485 1.00 0.00 O ATOM 1111 CG2 THR A 95 -1.603 -6.857 -30.011 1.00 0.00 C ATOM 0 H THR A 95 -1.857 -5.291 -33.186 1.00 0.00 H new ATOM 0 HA THR A 95 -2.913 -4.535 -30.499 1.00 0.00 H new ATOM 0 HB THR A 95 -0.609 -4.985 -29.688 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.229 -5.018 -31.993 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.811 -7.453 -29.557 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.368 -6.642 -29.265 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.047 -7.413 -30.837 1.00 0.00 H new ATOM 1119 N GLY A 96 -2.425 -2.206 -31.312 1.00 0.00 N ATOM 1120 CA GLY A 96 -2.160 -0.819 -31.681 1.00 0.00 C ATOM 1121 C GLY A 96 -1.059 -0.146 -30.870 1.00 0.00 C ATOM 1122 O GLY A 96 -0.471 0.826 -31.337 1.00 0.00 O ATOM 0 H GLY A 96 -3.346 -2.348 -30.897 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.890 -0.783 -32.736 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.079 -0.245 -31.568 1.00 0.00 H new ATOM 1126 N TYR A 97 -0.789 -0.662 -29.651 1.00 0.00 N ATOM 1127 CA TYR A 97 0.278 -0.130 -28.762 1.00 0.00 C ATOM 1128 C TYR A 97 1.689 -0.456 -29.276 1.00 0.00 C ATOM 1129 O TYR A 97 2.647 0.225 -28.900 1.00 0.00 O ATOM 1130 CB TYR A 97 0.137 -0.626 -27.296 1.00 0.00 C ATOM 1131 CG TYR A 97 -0.051 -2.139 -27.137 1.00 0.00 C ATOM 1132 CD1 TYR A 97 -1.293 -2.707 -27.355 1.00 0.00 C ATOM 1133 CD2 TYR A 97 1.003 -2.987 -26.781 1.00 0.00 C ATOM 1134 CE1 TYR A 97 -1.498 -4.057 -27.222 1.00 0.00 C ATOM 1135 CE2 TYR A 97 0.805 -4.340 -26.648 1.00 0.00 C ATOM 1136 CZ TYR A 97 -0.445 -4.872 -26.873 1.00 0.00 C ATOM 1137 OH TYR A 97 -0.640 -6.228 -26.750 1.00 0.00 O ATOM 0 H TYR A 97 -1.297 -1.452 -29.254 1.00 0.00 H new ATOM 0 HA TYR A 97 0.144 0.952 -28.776 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.025 -0.325 -26.740 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.713 -0.120 -26.838 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.121 -2.073 -27.636 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.985 -2.573 -26.608 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.479 -4.477 -27.390 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.626 -4.983 -26.368 1.00 0.00 H new ATOM 0 HH TYR A 97 0.204 -6.658 -26.499 1.00 0.00 H new ATOM 1147 N ASN A 98 1.781 -1.516 -30.112 1.00 0.00 N ATOM 1148 CA ASN A 98 3.048 -2.127 -30.575 1.00 0.00 C ATOM 1149 C ASN A 98 3.723 -2.911 -29.425 1.00 0.00 C ATOM 1150 O ASN A 98 3.863 -2.396 -28.306 1.00 0.00 O ATOM 1151 CB ASN A 98 4.036 -1.087 -31.206 1.00 0.00 C ATOM 1152 CG ASN A 98 5.332 -1.700 -31.758 1.00 0.00 C ATOM 1153 OD1 ASN A 98 5.400 -2.099 -32.918 1.00 0.00 O ATOM 1154 ND2 ASN A 98 6.374 -1.763 -30.939 1.00 0.00 N ATOM 0 H ASN A 98 0.957 -1.981 -30.492 1.00 0.00 H new ATOM 0 HA ASN A 98 2.790 -2.823 -31.373 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.525 -0.561 -32.012 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.292 -0.343 -30.452 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.259 -2.150 -31.268 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.290 -1.425 -29.980 1.00 0.00 H new ATOM 1161 N ARG A 99 4.156 -4.146 -29.718 1.00 0.00 N ATOM 1162 CA ARG A 99 4.767 -5.061 -28.735 1.00 0.00 C ATOM 1163 C ARG A 99 6.027 -5.703 -29.345 1.00 0.00 C ATOM 1164 O ARG A 99 6.123 -5.865 -30.570 1.00 0.00 O ATOM 1165 CB ARG A 99 3.728 -6.144 -28.305 1.00 0.00 C ATOM 1166 CG ARG A 99 4.171 -7.077 -27.154 1.00 0.00 C ATOM 1167 CD ARG A 99 4.347 -6.321 -25.823 1.00 0.00 C ATOM 1168 NE ARG A 99 4.856 -7.193 -24.744 1.00 0.00 N ATOM 1169 CZ ARG A 99 5.398 -6.763 -23.591 1.00 0.00 C ATOM 1170 NH1 ARG A 99 5.540 -5.469 -23.346 1.00 0.00 N ATOM 1171 NH2 ARG A 99 5.806 -7.637 -22.683 1.00 0.00 N ATOM 0 H ARG A 99 4.092 -4.545 -30.655 1.00 0.00 H new ATOM 0 HA ARG A 99 5.063 -4.506 -27.845 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.808 -5.641 -28.007 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.489 -6.757 -29.174 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.432 -7.868 -27.025 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.111 -7.560 -27.422 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.035 -5.489 -25.969 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.390 -5.894 -25.521 1.00 0.00 H new ATOM 0 HE ARG A 99 4.791 -8.201 -24.885 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.236 -4.783 -24.037 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.953 -5.159 -22.466 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.709 -8.637 -22.858 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.217 -7.310 -21.809 1.00 0.00 H new ATOM 1185 N ARG A 100 7.007 -6.033 -28.488 1.00 0.00 N ATOM 1186 CA ARG A 100 8.275 -6.658 -28.904 1.00 0.00 C ATOM 1187 C ARG A 100 8.214 -8.175 -28.684 1.00 0.00 C ATOM 1188 O ARG A 100 7.616 -8.642 -27.699 1.00 0.00 O ATOM 1189 CB ARG A 100 9.462 -6.037 -28.111 1.00 0.00 C ATOM 1190 CG ARG A 100 9.582 -4.486 -28.181 1.00 0.00 C ATOM 1191 CD ARG A 100 9.959 -3.923 -29.579 1.00 0.00 C ATOM 1192 NE ARG A 100 8.886 -4.072 -30.581 1.00 0.00 N ATOM 1193 CZ ARG A 100 8.998 -3.773 -31.884 1.00 0.00 C ATOM 1194 NH1 ARG A 100 10.111 -3.247 -32.387 1.00 0.00 N ATOM 1195 NH2 ARG A 100 7.971 -3.994 -32.678 1.00 0.00 N ATOM 0 H ARG A 100 6.943 -5.873 -27.483 1.00 0.00 H new ATOM 0 HA ARG A 100 8.431 -6.470 -29.966 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.369 -6.329 -27.065 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.390 -6.472 -28.482 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.633 -4.048 -27.873 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.332 -4.161 -27.460 1.00 0.00 H new ATOM 0 HD2 ARG A 100 10.210 -2.867 -29.481 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.854 -4.432 -29.938 1.00 0.00 H new ATOM 0 HE ARG A 100 7.988 -4.431 -30.257 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.908 -3.061 -31.778 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.168 -3.030 -33.382 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.109 -4.386 -32.299 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.038 -3.773 -33.672 1.00 0.00 H new ATOM 1209 N GLY A 101 8.846 -8.935 -29.598 1.00 0.00 N ATOM 1210 CA GLY A 101 8.944 -10.397 -29.495 1.00 0.00 C ATOM 1211 C GLY A 101 10.155 -10.818 -28.692 1.00 0.00 C ATOM 1212 O GLY A 101 11.070 -11.476 -29.211 1.00 0.00 O ATOM 0 H GLY A 101 9.301 -8.550 -30.426 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.042 -10.791 -29.027 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.000 -10.830 -30.494 1.00 0.00 H new ATOM 1216 N SER A 102 10.155 -10.406 -27.417 1.00 0.00 N ATOM 1217 CA SER A 102 11.215 -10.725 -26.450 1.00 0.00 C ATOM 1218 C SER A 102 10.999 -12.139 -25.885 1.00 0.00 C ATOM 1219 O SER A 102 9.951 -12.765 -26.120 1.00 0.00 O ATOM 1220 CB SER A 102 11.210 -9.667 -25.316 1.00 0.00 C ATOM 1221 OG SER A 102 12.315 -9.823 -24.438 1.00 0.00 O ATOM 0 H SER A 102 9.408 -9.834 -27.023 1.00 0.00 H new ATOM 0 HA SER A 102 12.186 -10.702 -26.945 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.232 -8.668 -25.752 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.282 -9.747 -24.749 1.00 0.00 H new ATOM 0 HG SER A 102 12.277 -9.137 -23.739 1.00 0.00 H new ATOM 1227 N LYS A 103 12.000 -12.642 -25.150 1.00 0.00 N ATOM 1228 CA LYS A 103 11.918 -13.953 -24.484 1.00 0.00 C ATOM 1229 C LYS A 103 10.832 -13.900 -23.386 1.00 0.00 C ATOM 1230 O LYS A 103 10.998 -13.191 -22.392 1.00 0.00 O ATOM 1231 CB LYS A 103 13.298 -14.343 -23.886 1.00 0.00 C ATOM 1232 CG LYS A 103 13.394 -15.790 -23.349 1.00 0.00 C ATOM 1233 CD LYS A 103 13.217 -16.847 -24.460 1.00 0.00 C ATOM 1234 CE LYS A 103 13.339 -18.285 -23.941 1.00 0.00 C ATOM 1235 NZ LYS A 103 12.270 -18.638 -22.976 1.00 0.00 N ATOM 0 H LYS A 103 12.885 -12.157 -25.000 1.00 0.00 H new ATOM 0 HA LYS A 103 11.645 -14.716 -25.213 1.00 0.00 H new ATOM 0 HB2 LYS A 103 14.061 -14.205 -24.652 1.00 0.00 H new ATOM 0 HB3 LYS A 103 13.533 -13.654 -23.074 1.00 0.00 H new ATOM 0 HG2 LYS A 103 14.362 -15.932 -22.868 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.633 -15.941 -22.584 1.00 0.00 H new ATOM 0 HD2 LYS A 103 12.241 -16.716 -24.927 1.00 0.00 H new ATOM 0 HD3 LYS A 103 13.965 -16.681 -25.235 1.00 0.00 H new ATOM 0 HE2 LYS A 103 13.304 -18.975 -24.784 1.00 0.00 H new ATOM 0 HE3 LYS A 103 14.310 -18.413 -23.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.370 -19.635 -22.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.349 -18.033 -22.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.340 -18.495 -23.420 1.00 0.00 H new ATOM 1249 N ASP A 104 9.722 -14.630 -23.614 1.00 0.00 N ATOM 1250 CA ASP A 104 8.540 -14.640 -22.722 1.00 0.00 C ATOM 1251 C ASP A 104 8.940 -15.046 -21.276 1.00 0.00 C ATOM 1252 O ASP A 104 9.121 -14.172 -20.416 1.00 0.00 O ATOM 1253 CB ASP A 104 7.450 -15.598 -23.317 1.00 0.00 C ATOM 1254 CG ASP A 104 6.216 -15.799 -22.410 1.00 0.00 C ATOM 1255 OD1 ASP A 104 5.347 -14.908 -22.370 1.00 0.00 O ATOM 1256 OD2 ASP A 104 6.118 -16.854 -21.731 1.00 0.00 O ATOM 0 H ASP A 104 9.618 -15.235 -24.429 1.00 0.00 H new ATOM 0 HA ASP A 104 8.121 -13.635 -22.662 1.00 0.00 H new ATOM 0 HB2 ASP A 104 7.120 -15.201 -24.277 1.00 0.00 H new ATOM 0 HB3 ASP A 104 7.905 -16.569 -23.513 1.00 0.00 H new ATOM 1261 N SER A 105 9.118 -16.366 -21.075 1.00 0.00 N ATOM 1262 CA SER A 105 9.493 -17.002 -19.805 1.00 0.00 C ATOM 1263 C SER A 105 9.290 -18.506 -19.993 1.00 0.00 C ATOM 1264 O SER A 105 10.250 -19.280 -19.955 1.00 0.00 O ATOM 1265 CB SER A 105 8.637 -16.503 -18.604 1.00 0.00 C ATOM 1266 OG SER A 105 9.032 -17.112 -17.384 1.00 0.00 O ATOM 0 H SER A 105 8.998 -17.044 -21.828 1.00 0.00 H new ATOM 0 HA SER A 105 10.526 -16.749 -19.567 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.730 -15.421 -18.516 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.585 -16.718 -18.793 1.00 0.00 H new ATOM 0 HG SER A 105 8.474 -16.773 -16.653 1.00 0.00 H new ATOM 1272 N GLN A 106 8.012 -18.877 -20.250 1.00 0.00 N ATOM 1273 CA GLN A 106 7.565 -20.265 -20.467 1.00 0.00 C ATOM 1274 C GLN A 106 7.745 -21.168 -19.227 1.00 0.00 C ATOM 1275 O GLN A 106 8.376 -20.804 -18.231 1.00 0.00 O ATOM 1276 CB GLN A 106 8.239 -20.906 -21.730 1.00 0.00 C ATOM 1277 CG GLN A 106 7.762 -20.328 -23.082 1.00 0.00 C ATOM 1278 CD GLN A 106 6.269 -20.556 -23.325 1.00 0.00 C ATOM 1279 OE1 GLN A 106 5.443 -19.618 -22.904 1.00 0.00 O flip ATOM 1280 NE2 GLN A 106 5.860 -21.569 -23.893 1.00 0.00 N flip ATOM 0 H GLN A 106 7.251 -18.201 -20.312 1.00 0.00 H new ATOM 0 HA GLN A 106 6.492 -20.200 -20.650 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.318 -20.774 -21.655 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.048 -21.979 -21.722 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.972 -19.259 -23.110 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.332 -20.786 -23.890 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.521 -22.279 -24.209 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.860 -21.698 -24.048 1.00 0.00 H new ATOM 1289 N LEU A 107 7.136 -22.345 -19.319 1.00 0.00 N ATOM 1290 CA LEU A 107 7.282 -23.451 -18.348 1.00 0.00 C ATOM 1291 C LEU A 107 8.050 -24.612 -19.015 1.00 0.00 C ATOM 1292 O LEU A 107 8.149 -25.720 -18.468 1.00 0.00 O ATOM 1293 CB LEU A 107 5.884 -23.923 -17.825 1.00 0.00 C ATOM 1294 CG LEU A 107 4.933 -24.702 -18.818 1.00 0.00 C ATOM 1295 CD1 LEU A 107 3.692 -25.261 -18.083 1.00 0.00 C ATOM 1296 CD2 LEU A 107 4.499 -23.843 -20.024 1.00 0.00 C ATOM 0 H LEU A 107 6.507 -22.574 -20.089 1.00 0.00 H new ATOM 0 HA LEU A 107 7.848 -23.101 -17.484 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.052 -24.561 -16.958 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.347 -23.042 -17.473 1.00 0.00 H new ATOM 0 HG LEU A 107 5.517 -25.536 -19.208 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.057 -25.792 -18.793 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.012 -25.947 -17.299 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.131 -24.439 -17.639 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.847 -24.429 -20.672 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.962 -22.963 -19.670 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.380 -23.529 -20.583 1.00 0.00 H new ATOM 1308 N ARG A 108 8.617 -24.317 -20.204 1.00 0.00 N ATOM 1309 CA ARG A 108 9.355 -25.269 -21.044 1.00 0.00 C ATOM 1310 C ARG A 108 10.804 -24.770 -21.214 1.00 0.00 C ATOM 1311 O ARG A 108 11.005 -23.726 -21.873 1.00 0.00 O ATOM 1312 CB ARG A 108 8.665 -25.412 -22.433 1.00 0.00 C ATOM 1313 CG ARG A 108 7.203 -25.890 -22.371 1.00 0.00 C ATOM 1314 CD ARG A 108 6.602 -26.106 -23.768 1.00 0.00 C ATOM 1315 NE ARG A 108 7.305 -27.163 -24.521 1.00 0.00 N ATOM 1316 CZ ARG A 108 7.185 -27.390 -25.839 1.00 0.00 C ATOM 1317 NH1 ARG A 108 6.450 -26.592 -26.608 1.00 0.00 N ATOM 1318 NH2 ARG A 108 7.853 -28.393 -26.391 1.00 0.00 N ATOM 1319 OXT ARG A 108 11.732 -25.409 -20.680 1.00 0.00 O ATOM 0 H ARG A 108 8.570 -23.383 -20.612 1.00 0.00 H new ATOM 0 HA ARG A 108 9.361 -26.248 -20.565 1.00 0.00 H new ATOM 0 HB2 ARG A 108 8.698 -24.449 -22.942 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.238 -26.113 -23.039 1.00 0.00 H new ATOM 0 HG2 ARG A 108 7.151 -26.821 -21.807 1.00 0.00 H new ATOM 0 HG3 ARG A 108 6.606 -25.156 -21.830 1.00 0.00 H new ATOM 0 HD2 ARG A 108 5.549 -26.370 -23.672 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.646 -25.172 -24.329 1.00 0.00 H new ATOM 0 HE ARG A 108 7.934 -27.771 -23.997 1.00 0.00 H new ATOM 0 HH11 ARG A 108 5.967 -25.793 -26.198 1.00 0.00 H new ATOM 0 HH12 ARG A 108 6.370 -26.779 -27.607 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.452 -28.985 -25.815 1.00 0.00 H new ATOM 0 HH22 ARG A 108 7.768 -28.573 -27.391 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.284 -23.837 -24.614 1.00 0.00 ZN