USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 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 18 ASN : amide:sc= -1.44 K(o=-2.8,f=-1.5) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.87! C(o=-2.8!,f=-5.3!) USER MOD Set 1.3: A 89 GLN : amide:sc= 0.538 K(o=-2.8,f=-9.8!) USER MOD Set 2.1: A 80 MET CE :methyl -112:sc= -2.56 (180deg=-2.71!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.16 K(o=-4.7,f=-2.2) USER MOD Set 3.1: A 55 GLN : amide:sc= -4.72! C(o=-7.2!,f=-12!) USER MOD Set 3.2: A 67 SER OG : rot -20:sc= -1.81 USER MOD Set 3.3: A 69 ASN : amide:sc= -0.701 K(o=-7.2,f=-5.9) USER MOD Set 4.1: A 26 GLN : amide:sc= 0.14 K(o=1.6,f=1) USER MOD Set 4.2: A 48 SER OG : rot 173:sc= 1.44! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 61:sc= 1.24 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 17:sc= 0.873 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.62) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.888! C(o=-0.89!,f=-1.7!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -28:sc= 0.0789 USER MOD Single : A 35 ASN : amide:sc= -4.8! K(o=-4.8!,f=-1.5) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 44 MET CE :methyl 166:sc= 0 (180deg=-0.116) USER MOD Single : A 46 LYS NZ :NH3+ 144:sc= -2.23 (180deg=-4.34!) USER MOD Single : A 52 ASN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 53 THR OG1 : rot 35:sc= 0.0575 USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.0405 (180deg=-0.927) USER MOD Single : A 58 TYR OH : rot -38:sc= -0.856! USER MOD Single : A 63 ASN : amide:sc= -2.48! C(o=-2.5!,f=-7.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.0094) USER MOD Single : A 74 TYR OH : rot -140:sc= -2.14! USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.152) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.409 K(o=-0.41,f=-2.3!) USER MOD Single : A 90 MET CE :methyl -137:sc= -0.272 (180deg=-1.75!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0.145 K(o=0.15,f=-0.92) USER MOD Single : A 96 SER OG : rot -160:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.648 -19.269 -9.906 1.00 0.00 N ATOM 2 CA GLY A 1 -11.499 -20.340 -9.415 1.00 0.00 C ATOM 3 C GLY A 1 -11.351 -20.507 -7.901 1.00 0.00 C ATOM 4 O GLY A 1 -10.236 -20.586 -7.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.766 -19.176 -10.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.913 -18.376 -9.444 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.655 -19.488 -9.690 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.539 -20.125 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.240 -21.273 -9.915 1.00 0.00 H new ATOM 8 N SER A 2 -12.492 -20.556 -7.230 1.00 0.00 N ATOM 9 CA SER A 2 -12.503 -20.712 -5.785 1.00 0.00 C ATOM 10 C SER A 2 -13.945 -20.730 -5.272 1.00 0.00 C ATOM 11 O SER A 2 -14.349 -21.663 -4.579 1.00 0.00 O ATOM 12 CB SER A 2 -11.711 -19.594 -5.104 1.00 0.00 C ATOM 13 OG SER A 2 -10.845 -20.096 -4.090 1.00 0.00 O ATOM 0 H SER A 2 -13.415 -20.491 -7.659 1.00 0.00 H new ATOM 0 HA SER A 2 -12.025 -21.660 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.124 -19.059 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.403 -18.874 -4.667 1.00 0.00 H new ATOM 0 HG SER A 2 -10.356 -19.352 -3.680 1.00 0.00 H new ATOM 19 N SER A 3 -14.680 -19.689 -5.632 1.00 0.00 N ATOM 20 CA SER A 3 -16.068 -19.573 -5.217 1.00 0.00 C ATOM 21 C SER A 3 -16.155 -19.521 -3.690 1.00 0.00 C ATOM 22 O SER A 3 -16.194 -20.559 -3.031 1.00 0.00 O ATOM 23 CB SER A 3 -16.903 -20.736 -5.756 1.00 0.00 C ATOM 24 OG SER A 3 -17.016 -20.698 -7.176 1.00 0.00 O ATOM 0 H SER A 3 -14.341 -18.918 -6.207 1.00 0.00 H new ATOM 0 HA SER A 3 -16.472 -18.649 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.449 -21.679 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.898 -20.704 -5.312 1.00 0.00 H new ATOM 0 HG SER A 3 -17.555 -21.457 -7.482 1.00 0.00 H new ATOM 30 N GLY A 4 -16.182 -18.302 -3.172 1.00 0.00 N ATOM 31 CA GLY A 4 -16.263 -18.101 -1.735 1.00 0.00 C ATOM 32 C GLY A 4 -15.071 -18.743 -1.023 1.00 0.00 C ATOM 33 O GLY A 4 -13.941 -18.667 -1.505 1.00 0.00 O ATOM 0 H GLY A 4 -16.149 -17.443 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.291 -17.034 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.191 -18.529 -1.356 1.00 0.00 H new ATOM 37 N SER A 5 -15.363 -19.361 0.111 1.00 0.00 N ATOM 38 CA SER A 5 -14.328 -20.016 0.894 1.00 0.00 C ATOM 39 C SER A 5 -14.947 -20.681 2.126 1.00 0.00 C ATOM 40 O SER A 5 -15.438 -19.999 3.024 1.00 0.00 O ATOM 41 CB SER A 5 -13.244 -19.022 1.316 1.00 0.00 C ATOM 42 OG SER A 5 -12.158 -18.995 0.394 1.00 0.00 O ATOM 0 H SER A 5 -16.301 -19.423 0.507 1.00 0.00 H new ATOM 0 HA SER A 5 -13.860 -20.780 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.677 -18.025 1.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.873 -19.288 2.306 1.00 0.00 H new ATOM 0 HG SER A 5 -12.484 -18.717 -0.487 1.00 0.00 H new ATOM 48 N SER A 6 -14.902 -22.005 2.129 1.00 0.00 N ATOM 49 CA SER A 6 -15.452 -22.770 3.235 1.00 0.00 C ATOM 50 C SER A 6 -14.370 -23.667 3.840 1.00 0.00 C ATOM 51 O SER A 6 -14.016 -24.694 3.263 1.00 0.00 O ATOM 52 CB SER A 6 -16.647 -23.611 2.784 1.00 0.00 C ATOM 53 OG SER A 6 -17.211 -24.358 3.858 1.00 0.00 O ATOM 0 H SER A 6 -14.493 -22.568 1.383 1.00 0.00 H new ATOM 0 HA SER A 6 -15.801 -22.070 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.409 -22.959 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.333 -24.293 1.994 1.00 0.00 H new ATOM 0 HG SER A 6 -17.972 -24.880 3.529 1.00 0.00 H new ATOM 59 N GLY A 7 -13.874 -23.247 4.994 1.00 0.00 N ATOM 60 CA GLY A 7 -12.840 -23.999 5.683 1.00 0.00 C ATOM 61 C GLY A 7 -12.654 -23.492 7.115 1.00 0.00 C ATOM 62 O GLY A 7 -13.324 -22.550 7.535 1.00 0.00 O ATOM 0 H GLY A 7 -14.169 -22.394 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.104 -25.056 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.900 -23.914 5.138 1.00 0.00 H new ATOM 66 N PRO A 8 -11.718 -24.158 7.844 1.00 0.00 N ATOM 67 CA PRO A 8 -11.436 -23.784 9.219 1.00 0.00 C ATOM 68 C PRO A 8 -10.617 -22.494 9.280 1.00 0.00 C ATOM 69 O PRO A 8 -10.240 -21.944 8.247 1.00 0.00 O ATOM 70 CB PRO A 8 -10.707 -24.980 9.809 1.00 0.00 C ATOM 71 CG PRO A 8 -10.197 -25.784 8.624 1.00 0.00 C ATOM 72 CD PRO A 8 -10.906 -25.278 7.379 1.00 0.00 C ATOM 0 HA PRO A 8 -12.339 -23.563 9.789 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.883 -24.659 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.375 -25.578 10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.118 -25.670 8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.393 -26.846 8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.193 -24.961 6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.524 -26.056 6.931 1.00 0.00 H new ATOM 80 N HIS A 9 -10.366 -22.048 10.502 1.00 0.00 N ATOM 81 CA HIS A 9 -9.598 -20.832 10.712 1.00 0.00 C ATOM 82 C HIS A 9 -8.370 -20.837 9.799 1.00 0.00 C ATOM 83 O HIS A 9 -7.527 -21.729 9.891 1.00 0.00 O ATOM 84 CB HIS A 9 -9.238 -20.664 12.189 1.00 0.00 C ATOM 85 CG HIS A 9 -8.548 -19.360 12.509 1.00 0.00 C ATOM 86 ND1 HIS A 9 -7.223 -19.289 12.902 1.00 0.00 N ATOM 87 CD2 HIS A 9 -9.013 -18.078 12.490 1.00 0.00 C ATOM 88 CE1 HIS A 9 -6.915 -18.017 13.108 1.00 0.00 C ATOM 89 NE2 HIS A 9 -8.026 -17.268 12.853 1.00 0.00 N ATOM 0 H HIS A 9 -10.681 -22.507 11.357 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.203 -19.965 10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.148 -20.737 12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.592 -21.488 12.491 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -10.015 -17.773 12.225 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.953 -17.640 13.423 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.088 -16.253 12.929 1.00 0.00 H new ATOM 97 N SER A 10 -8.307 -19.831 8.940 1.00 0.00 N ATOM 98 CA SER A 10 -7.196 -19.708 8.012 1.00 0.00 C ATOM 99 C SER A 10 -7.095 -18.268 7.504 1.00 0.00 C ATOM 100 O SER A 10 -8.003 -17.466 7.716 1.00 0.00 O ATOM 101 CB SER A 10 -7.350 -20.675 6.837 1.00 0.00 C ATOM 102 OG SER A 10 -6.984 -22.006 7.190 1.00 0.00 O ATOM 0 H SER A 10 -9.007 -19.093 8.867 1.00 0.00 H new ATOM 0 HA SER A 10 -6.279 -19.965 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.383 -20.663 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.731 -20.337 6.006 1.00 0.00 H new ATOM 0 HG SER A 10 -6.965 -22.092 8.166 1.00 0.00 H new ATOM 108 N MET A 11 -5.982 -17.984 6.843 1.00 0.00 N ATOM 109 CA MET A 11 -5.751 -16.655 6.303 1.00 0.00 C ATOM 110 C MET A 11 -5.660 -15.617 7.423 1.00 0.00 C ATOM 111 O MET A 11 -6.652 -15.329 8.090 1.00 0.00 O ATOM 112 CB MET A 11 -6.892 -16.284 5.354 1.00 0.00 C ATOM 113 CG MET A 11 -6.452 -16.408 3.894 1.00 0.00 C ATOM 114 SD MET A 11 -7.726 -17.216 2.939 1.00 0.00 S ATOM 115 CE MET A 11 -6.879 -17.390 1.377 1.00 0.00 C ATOM 0 H MET A 11 -5.231 -18.652 6.669 1.00 0.00 H new ATOM 0 HA MET A 11 -4.805 -16.662 5.762 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.748 -16.934 5.536 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.219 -15.264 5.554 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.249 -15.420 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.524 -16.976 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.537 -17.880 0.659 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.602 -16.405 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.981 -17.992 1.515 1.00 0.00 H new ATOM 125 N GLU A 12 -4.459 -15.083 7.596 1.00 0.00 N ATOM 126 CA GLU A 12 -4.226 -14.083 8.623 1.00 0.00 C ATOM 127 C GLU A 12 -4.277 -12.678 8.019 1.00 0.00 C ATOM 128 O GLU A 12 -4.211 -12.520 6.801 1.00 0.00 O ATOM 129 CB GLU A 12 -2.892 -14.326 9.332 1.00 0.00 C ATOM 130 CG GLU A 12 -3.083 -15.193 10.579 1.00 0.00 C ATOM 131 CD GLU A 12 -1.933 -16.190 10.735 1.00 0.00 C ATOM 132 OE1 GLU A 12 -0.903 -15.781 11.312 1.00 0.00 O ATOM 133 OE2 GLU A 12 -2.111 -17.338 10.274 1.00 0.00 O ATOM 0 H GLU A 12 -3.638 -15.325 7.042 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.017 -14.166 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.197 -14.814 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.446 -13.372 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.141 -14.558 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.029 -15.731 10.511 1.00 0.00 H new ATOM 140 N PRO A 13 -4.397 -11.668 8.921 1.00 0.00 N ATOM 141 CA PRO A 13 -4.458 -10.282 8.489 1.00 0.00 C ATOM 142 C PRO A 13 -3.078 -9.780 8.060 1.00 0.00 C ATOM 143 O PRO A 13 -2.941 -9.149 7.013 1.00 0.00 O ATOM 144 CB PRO A 13 -5.022 -9.523 9.680 1.00 0.00 C ATOM 145 CG PRO A 13 -4.820 -10.428 10.884 1.00 0.00 C ATOM 146 CD PRO A 13 -4.478 -11.818 10.371 1.00 0.00 C ATOM 0 HA PRO A 13 -5.088 -10.143 7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.508 -8.572 9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.078 -9.297 9.534 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.019 -10.047 11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.722 -10.458 11.495 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.534 -12.172 10.786 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.242 -12.543 10.652 1.00 0.00 H new ATOM 154 N GLN A 14 -2.090 -10.079 8.890 1.00 0.00 N ATOM 155 CA GLN A 14 -0.726 -9.667 8.610 1.00 0.00 C ATOM 156 C GLN A 14 -0.445 -9.747 7.108 1.00 0.00 C ATOM 157 O GLN A 14 -0.189 -10.827 6.578 1.00 0.00 O ATOM 158 CB GLN A 14 0.276 -10.510 9.401 1.00 0.00 C ATOM 159 CG GLN A 14 0.144 -10.253 10.903 1.00 0.00 C ATOM 160 CD GLN A 14 1.168 -11.073 11.691 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.416 -12.235 11.416 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.746 -10.404 12.685 1.00 0.00 N ATOM 0 H GLN A 14 -2.207 -10.602 9.758 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.608 -8.631 8.927 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.111 -11.567 9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.290 -10.276 9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.287 -9.192 11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.863 -10.509 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.492 -9.432 12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.443 -10.863 13.271 1.00 0.00 H new ATOM 171 N VAL A 15 -0.503 -8.590 6.465 1.00 0.00 N ATOM 172 CA VAL A 15 -0.259 -8.516 5.034 1.00 0.00 C ATOM 173 C VAL A 15 1.134 -7.932 4.789 1.00 0.00 C ATOM 174 O VAL A 15 1.592 -7.073 5.541 1.00 0.00 O ATOM 175 CB VAL A 15 -1.371 -7.714 4.354 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.895 -7.143 3.017 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.628 -8.567 4.171 1.00 0.00 C ATOM 0 H VAL A 15 -0.715 -7.696 6.908 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.277 -9.512 4.591 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.627 -6.877 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.704 -6.578 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.042 -6.485 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.599 -7.959 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.403 -7.974 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.393 -9.433 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.985 -8.903 5.145 1.00 0.00 H new ATOM 187 N THR A 16 1.769 -8.423 3.735 1.00 0.00 N ATOM 188 CA THR A 16 3.100 -7.961 3.381 1.00 0.00 C ATOM 189 C THR A 16 3.022 -6.893 2.288 1.00 0.00 C ATOM 190 O THR A 16 2.694 -7.195 1.142 1.00 0.00 O ATOM 191 CB THR A 16 3.933 -9.180 2.979 1.00 0.00 C ATOM 192 OG1 THR A 16 3.875 -10.031 4.121 1.00 0.00 O ATOM 193 CG2 THR A 16 5.420 -8.852 2.835 1.00 0.00 C ATOM 0 H THR A 16 1.386 -9.136 3.115 1.00 0.00 H new ATOM 0 HA THR A 16 3.588 -7.480 4.228 1.00 0.00 H new ATOM 0 HB THR A 16 3.557 -9.582 2.038 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.388 -10.848 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.965 -9.752 2.549 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.552 -8.088 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.805 -8.482 3.785 1.00 0.00 H new ATOM 201 N LEU A 17 3.328 -5.665 2.683 1.00 0.00 N ATOM 202 CA LEU A 17 3.296 -4.550 1.751 1.00 0.00 C ATOM 203 C LEU A 17 4.700 -4.322 1.188 1.00 0.00 C ATOM 204 O LEU A 17 5.540 -3.702 1.838 1.00 0.00 O ATOM 205 CB LEU A 17 2.691 -3.313 2.418 1.00 0.00 C ATOM 206 CG LEU A 17 1.246 -3.450 2.900 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.822 -2.226 3.715 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.299 -3.714 1.728 1.00 0.00 C ATOM 0 H LEU A 17 3.599 -5.418 3.635 1.00 0.00 H new ATOM 0 HA LEU A 17 2.647 -4.777 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.314 -3.044 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.741 -2.483 1.713 1.00 0.00 H new ATOM 0 HG LEU A 17 1.187 -4.314 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.209 -2.349 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.472 -2.124 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.901 -1.332 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.722 -3.807 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.354 -2.886 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.589 -4.638 1.227 1.00 0.00 H new ATOM 220 N ASN A 18 4.911 -4.834 -0.015 1.00 0.00 N ATOM 221 CA ASN A 18 6.199 -4.694 -0.673 1.00 0.00 C ATOM 222 C ASN A 18 6.241 -3.359 -1.421 1.00 0.00 C ATOM 223 O ASN A 18 5.647 -3.223 -2.489 1.00 0.00 O ATOM 224 CB ASN A 18 6.422 -5.813 -1.692 1.00 0.00 C ATOM 225 CG ASN A 18 6.202 -7.187 -1.054 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.807 -7.540 -0.054 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.306 -7.939 -1.685 1.00 0.00 N ATOM 0 H ASN A 18 4.211 -5.347 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 18 6.975 -4.742 0.091 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.740 -5.685 -2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.435 -5.751 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.088 -8.873 -1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.836 -7.582 -2.517 1.00 0.00 H new ATOM 234 N VAL A 19 6.950 -2.409 -0.830 1.00 0.00 N ATOM 235 CA VAL A 19 7.079 -1.090 -1.427 1.00 0.00 C ATOM 236 C VAL A 19 8.407 -1.003 -2.180 1.00 0.00 C ATOM 237 O VAL A 19 9.472 -1.191 -1.593 1.00 0.00 O ATOM 238 CB VAL A 19 6.930 -0.012 -0.351 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.165 1.382 -0.936 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.560 -0.099 0.326 1.00 0.00 C ATOM 0 H VAL A 19 7.441 -2.526 0.056 1.00 0.00 H new ATOM 0 HA VAL A 19 6.283 -0.920 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 19 7.691 -0.189 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.053 2.130 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.172 1.438 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.438 1.573 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.480 0.678 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.777 0.040 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.447 -1.077 0.793 1.00 0.00 H new ATOM 250 N THR A 20 8.302 -0.718 -3.470 1.00 0.00 N ATOM 251 CA THR A 20 9.482 -0.604 -4.310 1.00 0.00 C ATOM 252 C THR A 20 9.656 0.838 -4.791 1.00 0.00 C ATOM 253 O THR A 20 9.034 1.250 -5.769 1.00 0.00 O ATOM 254 CB THR A 20 9.349 -1.613 -5.452 1.00 0.00 C ATOM 255 OG1 THR A 20 9.763 -2.848 -4.874 1.00 0.00 O ATOM 256 CG2 THR A 20 10.362 -1.367 -6.572 1.00 0.00 C ATOM 0 H THR A 20 7.418 -0.563 -3.954 1.00 0.00 H new ATOM 0 HA THR A 20 10.389 -0.840 -3.753 1.00 0.00 H new ATOM 0 HB THR A 20 8.339 -1.568 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.706 -3.559 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.224 -2.111 -7.357 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.212 -0.370 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.373 -1.445 -6.172 1.00 0.00 H new ATOM 264 N PHE A 21 10.506 1.566 -4.081 1.00 0.00 N ATOM 265 CA PHE A 21 10.770 2.953 -4.423 1.00 0.00 C ATOM 266 C PHE A 21 11.997 3.070 -5.330 1.00 0.00 C ATOM 267 O PHE A 21 13.131 2.984 -4.860 1.00 0.00 O ATOM 268 CB PHE A 21 11.047 3.692 -3.112 1.00 0.00 C ATOM 269 CG PHE A 21 11.306 5.190 -3.285 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.712 5.870 -4.302 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.130 5.842 -2.421 1.00 0.00 C ATOM 272 CE1 PHE A 21 10.952 7.260 -4.463 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.370 7.233 -2.582 1.00 0.00 C ATOM 274 CZ PHE A 21 11.776 7.912 -3.599 1.00 0.00 C ATOM 0 H PHE A 21 11.020 1.221 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 21 9.917 3.374 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.197 3.555 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.911 3.238 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.057 5.352 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.602 5.302 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.481 7.800 -5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.024 7.751 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.958 8.969 -3.721 1.00 0.00 H new ATOM 284 N LYS A 22 11.729 3.264 -6.613 1.00 0.00 N ATOM 285 CA LYS A 22 12.797 3.393 -7.589 1.00 0.00 C ATOM 286 C LYS A 22 13.568 2.074 -7.674 1.00 0.00 C ATOM 287 O LYS A 22 13.199 1.184 -8.438 1.00 0.00 O ATOM 288 CB LYS A 22 13.678 4.601 -7.263 1.00 0.00 C ATOM 289 CG LYS A 22 13.063 5.892 -7.807 1.00 0.00 C ATOM 290 CD LYS A 22 13.918 7.105 -7.437 1.00 0.00 C ATOM 291 CE LYS A 22 13.370 7.802 -6.190 1.00 0.00 C ATOM 292 NZ LYS A 22 14.323 8.828 -5.709 1.00 0.00 N ATOM 0 H LYS A 22 10.788 3.335 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 22 12.386 3.586 -8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.806 4.682 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.670 4.458 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.969 5.826 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.057 6.016 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.946 6.789 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.940 7.807 -8.271 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.411 8.267 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.190 7.068 -5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.936 9.292 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.229 8.376 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.474 9.538 -6.454 1.00 0.00 H new ATOM 306 N ASN A 23 14.624 1.991 -6.878 1.00 0.00 N ATOM 307 CA ASN A 23 15.449 0.796 -6.853 1.00 0.00 C ATOM 308 C ASN A 23 15.458 0.216 -5.437 1.00 0.00 C ATOM 309 O ASN A 23 16.055 -0.831 -5.194 1.00 0.00 O ATOM 310 CB ASN A 23 16.894 1.117 -7.241 1.00 0.00 C ATOM 311 CG ASN A 23 17.813 -0.076 -6.968 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.496 -1.217 -7.262 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.966 0.250 -6.391 1.00 0.00 N ATOM 0 H ASN A 23 14.927 2.732 -6.246 1.00 0.00 H new ATOM 0 HA ASN A 23 15.033 0.084 -7.566 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.940 1.382 -8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.241 1.984 -6.679 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.648 -0.475 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.169 1.225 -6.171 1.00 0.00 H new ATOM 320 N GLU A 24 14.787 0.923 -4.539 1.00 0.00 N ATOM 321 CA GLU A 24 14.710 0.492 -3.153 1.00 0.00 C ATOM 322 C GLU A 24 13.469 -0.377 -2.936 1.00 0.00 C ATOM 323 O GLU A 24 12.400 -0.084 -3.469 1.00 0.00 O ATOM 324 CB GLU A 24 14.711 1.692 -2.204 1.00 0.00 C ATOM 325 CG GLU A 24 16.107 2.309 -2.103 1.00 0.00 C ATOM 326 CD GLU A 24 16.066 3.635 -1.340 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.549 4.611 -1.926 1.00 0.00 O ATOM 328 OE2 GLU A 24 16.552 3.643 -0.189 1.00 0.00 O ATOM 0 H GLU A 24 14.292 1.791 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 24 15.593 -0.106 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.003 2.441 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.375 1.379 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.780 1.615 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.509 2.473 -3.103 1.00 0.00 H new ATOM 335 N ILE A 25 13.653 -1.430 -2.153 1.00 0.00 N ATOM 336 CA ILE A 25 12.562 -2.344 -1.859 1.00 0.00 C ATOM 337 C ILE A 25 12.376 -2.439 -0.343 1.00 0.00 C ATOM 338 O ILE A 25 13.351 -2.550 0.399 1.00 0.00 O ATOM 339 CB ILE A 25 12.799 -3.696 -2.535 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.790 -3.556 -4.059 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.788 -4.736 -2.049 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.629 -4.653 -4.716 1.00 0.00 C ATOM 0 H ILE A 25 14.541 -1.671 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 25 11.627 -1.966 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 25 13.789 -4.052 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.765 -3.608 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.180 -2.578 -4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.978 -5.688 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.886 -4.862 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.778 -4.400 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.605 -4.530 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.659 -4.583 -4.365 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.222 -5.629 -4.453 1.00 0.00 H new ATOM 354 N GLN A 26 11.119 -2.392 0.071 1.00 0.00 N ATOM 355 CA GLN A 26 10.793 -2.471 1.484 1.00 0.00 C ATOM 356 C GLN A 26 9.555 -3.345 1.695 1.00 0.00 C ATOM 357 O GLN A 26 8.832 -3.643 0.746 1.00 0.00 O ATOM 358 CB GLN A 26 10.587 -1.076 2.078 1.00 0.00 C ATOM 359 CG GLN A 26 11.796 -0.652 2.914 1.00 0.00 C ATOM 360 CD GLN A 26 11.355 0.008 4.222 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.294 -0.612 5.271 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.050 1.297 4.101 1.00 0.00 N ATOM 0 H GLN A 26 10.313 -2.300 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 26 11.632 -2.932 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.424 -0.356 1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.691 -1.070 2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.415 -1.522 3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.412 0.042 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.123 1.755 3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.743 1.827 4.917 1.00 0.00 H new ATOM 371 N SER A 27 9.348 -3.730 2.946 1.00 0.00 N ATOM 372 CA SER A 27 8.210 -4.564 3.294 1.00 0.00 C ATOM 373 C SER A 27 7.620 -4.112 4.631 1.00 0.00 C ATOM 374 O SER A 27 8.335 -4.008 5.626 1.00 0.00 O ATOM 375 CB SER A 27 8.609 -6.040 3.361 1.00 0.00 C ATOM 376 OG SER A 27 7.858 -6.751 4.341 1.00 0.00 O ATOM 0 H SER A 27 9.949 -3.480 3.731 1.00 0.00 H new ATOM 0 HA SER A 27 7.455 -4.455 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.459 -6.501 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.672 -6.118 3.591 1.00 0.00 H new ATOM 0 HG SER A 27 8.141 -7.689 4.352 1.00 0.00 H new ATOM 382 N PHE A 28 6.320 -3.856 4.611 1.00 0.00 N ATOM 383 CA PHE A 28 5.625 -3.418 5.809 1.00 0.00 C ATOM 384 C PHE A 28 4.474 -4.365 6.153 1.00 0.00 C ATOM 385 O PHE A 28 3.490 -4.445 5.419 1.00 0.00 O ATOM 386 CB PHE A 28 5.055 -2.029 5.514 1.00 0.00 C ATOM 387 CG PHE A 28 6.112 -0.993 5.126 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.726 -0.255 6.089 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.437 -0.809 3.818 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.707 0.707 5.729 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.418 0.153 3.458 1.00 0.00 C ATOM 392 CZ PHE A 28 8.032 0.890 4.422 1.00 0.00 C ATOM 0 H PHE A 28 5.730 -3.944 3.784 1.00 0.00 H new ATOM 0 HA PHE A 28 6.314 -3.404 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.327 -2.110 4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.518 -1.673 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.468 -0.400 7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.949 -1.395 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.195 1.293 6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.676 0.299 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.778 1.621 4.149 1.00 0.00 H new ATOM 402 N LEU A 29 4.635 -5.060 7.270 1.00 0.00 N ATOM 403 CA LEU A 29 3.622 -5.999 7.721 1.00 0.00 C ATOM 404 C LEU A 29 2.468 -5.227 8.364 1.00 0.00 C ATOM 405 O LEU A 29 2.693 -4.292 9.130 1.00 0.00 O ATOM 406 CB LEU A 29 4.241 -7.057 8.636 1.00 0.00 C ATOM 407 CG LEU A 29 3.375 -8.285 8.923 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.422 -9.274 7.757 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.774 -8.940 10.247 1.00 0.00 C ATOM 0 H LEU A 29 5.452 -4.991 7.876 1.00 0.00 H new ATOM 0 HA LEU A 29 3.207 -6.547 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.176 -7.393 8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.493 -6.585 9.586 1.00 0.00 H new ATOM 0 HG LEU A 29 2.341 -7.957 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.798 -10.138 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.052 -8.789 6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.450 -9.601 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.143 -9.810 10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.817 -9.252 10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.646 -8.225 11.060 1.00 0.00 H new ATOM 421 N VAL A 30 1.257 -5.649 8.029 1.00 0.00 N ATOM 422 CA VAL A 30 0.068 -5.009 8.565 1.00 0.00 C ATOM 423 C VAL A 30 -0.818 -6.065 9.230 1.00 0.00 C ATOM 424 O VAL A 30 -1.616 -6.721 8.562 1.00 0.00 O ATOM 425 CB VAL A 30 -0.653 -4.234 7.460 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.556 -3.149 8.050 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.347 -3.636 6.469 1.00 0.00 C ATOM 0 H VAL A 30 1.074 -6.426 7.394 1.00 0.00 H new ATOM 0 HA VAL A 30 0.338 -4.281 9.330 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.285 -4.936 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.056 -2.614 7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.302 -3.609 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.954 -2.450 8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.191 -3.090 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.016 -2.955 6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.929 -4.436 6.012 1.00 0.00 H new ATOM 437 N SER A 31 -0.648 -6.195 10.537 1.00 0.00 N ATOM 438 CA SER A 31 -1.423 -7.160 11.300 1.00 0.00 C ATOM 439 C SER A 31 -2.881 -6.706 11.391 1.00 0.00 C ATOM 440 O SER A 31 -3.752 -7.480 11.785 1.00 0.00 O ATOM 441 CB SER A 31 -0.838 -7.352 12.701 1.00 0.00 C ATOM 442 OG SER A 31 -1.407 -8.475 13.368 1.00 0.00 O ATOM 0 H SER A 31 0.015 -5.649 11.088 1.00 0.00 H new ATOM 0 HA SER A 31 -1.380 -8.119 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.242 -7.482 12.628 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.011 -6.453 13.293 1.00 0.00 H new ATOM 0 HG SER A 31 -2.319 -8.623 13.040 1.00 0.00 H new ATOM 448 N ASP A 32 -3.101 -5.453 11.020 1.00 0.00 N ATOM 449 CA ASP A 32 -4.439 -4.887 11.055 1.00 0.00 C ATOM 450 C ASP A 32 -4.625 -3.955 9.856 1.00 0.00 C ATOM 451 O ASP A 32 -4.695 -2.737 10.017 1.00 0.00 O ATOM 452 CB ASP A 32 -4.657 -4.068 12.329 1.00 0.00 C ATOM 453 CG ASP A 32 -3.812 -2.798 12.434 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.570 -2.941 12.436 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.426 -1.712 12.510 1.00 0.00 O ATOM 0 H ASP A 32 -2.376 -4.814 10.694 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.154 -5.709 11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.710 -3.792 12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.443 -4.701 13.191 1.00 0.00 H new ATOM 460 N PRO A 33 -4.701 -4.578 8.650 1.00 0.00 N ATOM 461 CA PRO A 33 -4.878 -3.817 7.424 1.00 0.00 C ATOM 462 C PRO A 33 -6.317 -3.314 7.294 1.00 0.00 C ATOM 463 O PRO A 33 -6.621 -2.514 6.410 1.00 0.00 O ATOM 464 CB PRO A 33 -4.479 -4.770 6.309 1.00 0.00 C ATOM 465 CG PRO A 33 -4.540 -6.165 6.911 1.00 0.00 C ATOM 466 CD PRO A 33 -4.622 -6.018 8.421 1.00 0.00 C ATOM 0 HA PRO A 33 -4.267 -2.915 7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.155 -4.682 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.477 -4.546 5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.407 -6.706 6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.658 -6.740 6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.496 -6.531 8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.748 -6.449 8.909 1.00 0.00 H new ATOM 474 N GLU A 34 -7.164 -3.802 8.188 1.00 0.00 N ATOM 475 CA GLU A 34 -8.563 -3.411 8.184 1.00 0.00 C ATOM 476 C GLU A 34 -8.778 -2.196 9.089 1.00 0.00 C ATOM 477 O GLU A 34 -9.420 -1.226 8.689 1.00 0.00 O ATOM 478 CB GLU A 34 -9.459 -4.577 8.609 1.00 0.00 C ATOM 479 CG GLU A 34 -9.754 -5.502 7.427 1.00 0.00 C ATOM 480 CD GLU A 34 -11.219 -5.943 7.428 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.693 -6.335 8.516 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.832 -5.877 6.340 1.00 0.00 O ATOM 0 H GLU A 34 -6.908 -4.465 8.920 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.840 -3.135 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.973 -5.142 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.394 -4.192 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.526 -4.988 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.107 -6.378 7.476 1.00 0.00 H new ATOM 489 N ASN A 35 -8.228 -2.289 10.291 1.00 0.00 N ATOM 490 CA ASN A 35 -8.351 -1.210 11.255 1.00 0.00 C ATOM 491 C ASN A 35 -7.545 -0.003 10.770 1.00 0.00 C ATOM 492 O ASN A 35 -8.088 1.091 10.620 1.00 0.00 O ATOM 493 CB ASN A 35 -7.803 -1.626 12.621 1.00 0.00 C ATOM 494 CG ASN A 35 -7.486 -0.401 13.482 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.228 -0.029 14.375 1.00 0.00 O ATOM 496 ND2 ASN A 35 -6.344 0.203 13.163 1.00 0.00 N ATOM 0 H ASN A 35 -7.696 -3.095 10.619 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.408 -0.963 11.351 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.531 -2.256 13.132 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.902 -2.224 12.488 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.043 1.030 13.678 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.769 -0.161 12.403 1.00 0.00 H new ATOM 503 N THR A 36 -6.263 -0.243 10.537 1.00 0.00 N ATOM 504 CA THR A 36 -5.377 0.810 10.071 1.00 0.00 C ATOM 505 C THR A 36 -6.021 1.576 8.915 1.00 0.00 C ATOM 506 O THR A 36 -7.002 1.118 8.331 1.00 0.00 O ATOM 507 CB THR A 36 -4.036 0.171 9.705 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.095 1.231 9.854 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.949 -0.198 8.222 1.00 0.00 C ATOM 0 H THR A 36 -5.817 -1.152 10.662 1.00 0.00 H new ATOM 0 HA THR A 36 -5.199 1.551 10.850 1.00 0.00 H new ATOM 0 HB THR A 36 -3.881 -0.722 10.311 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.197 0.904 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.978 -0.648 8.015 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.738 -0.909 7.977 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.069 0.700 7.616 1.00 0.00 H new ATOM 517 N THR A 37 -5.444 2.732 8.618 1.00 0.00 N ATOM 518 CA THR A 37 -5.950 3.566 7.542 1.00 0.00 C ATOM 519 C THR A 37 -4.871 3.776 6.478 1.00 0.00 C ATOM 520 O THR A 37 -3.681 3.797 6.790 1.00 0.00 O ATOM 521 CB THR A 37 -6.459 4.872 8.156 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.272 5.591 8.478 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.142 4.656 9.508 1.00 0.00 C ATOM 0 H THR A 37 -4.631 3.110 9.104 1.00 0.00 H new ATOM 0 HA THR A 37 -6.782 3.086 7.027 1.00 0.00 H new ATOM 0 HB THR A 37 -7.158 5.348 7.468 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.510 6.452 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.484 5.614 9.900 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.995 3.989 9.382 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.434 4.211 10.206 1.00 0.00 H new ATOM 531 N TRP A 38 -5.325 3.926 5.242 1.00 0.00 N ATOM 532 CA TRP A 38 -4.413 4.133 4.130 1.00 0.00 C ATOM 533 C TRP A 38 -3.456 5.265 4.507 1.00 0.00 C ATOM 534 O TRP A 38 -2.271 5.215 4.182 1.00 0.00 O ATOM 535 CB TRP A 38 -5.181 4.406 2.835 1.00 0.00 C ATOM 536 CG TRP A 38 -4.308 4.924 1.691 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.460 6.050 0.981 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.132 4.285 1.150 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.473 6.184 0.026 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.640 5.076 0.132 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.505 3.079 1.508 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.499 4.748 -0.611 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.367 2.765 0.757 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.858 3.551 -0.271 1.00 0.00 C ATOM 0 H TRP A 38 -6.312 3.908 4.986 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.829 3.233 3.938 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.673 3.487 2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.967 5.134 3.037 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.256 6.764 1.137 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.373 6.954 -0.636 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.873 2.444 2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.133 5.384 -1.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.847 1.848 0.992 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.028 3.239 -0.805 1.00 0.00 H new ATOM 555 N ALA A 39 -4.006 6.260 5.188 1.00 0.00 N ATOM 556 CA ALA A 39 -3.216 7.402 5.613 1.00 0.00 C ATOM 557 C ALA A 39 -2.071 6.921 6.507 1.00 0.00 C ATOM 558 O ALA A 39 -0.953 7.427 6.415 1.00 0.00 O ATOM 559 CB ALA A 39 -4.121 8.414 6.320 1.00 0.00 C ATOM 0 H ALA A 39 -4.989 6.298 5.456 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.774 7.904 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.528 9.271 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.900 8.747 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.580 7.946 7.191 1.00 0.00 H new ATOM 565 N ASP A 40 -2.388 5.949 7.350 1.00 0.00 N ATOM 566 CA ASP A 40 -1.400 5.394 8.258 1.00 0.00 C ATOM 567 C ASP A 40 -0.340 4.641 7.453 1.00 0.00 C ATOM 568 O ASP A 40 0.732 4.329 7.970 1.00 0.00 O ATOM 569 CB ASP A 40 -2.042 4.407 9.234 1.00 0.00 C ATOM 570 CG ASP A 40 -2.191 4.919 10.668 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.963 5.886 10.848 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.530 4.332 11.552 1.00 0.00 O ATOM 0 H ASP A 40 -3.316 5.532 7.423 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.956 6.217 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.028 4.136 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.445 3.495 9.250 1.00 0.00 H new ATOM 577 N ILE A 41 -0.675 4.370 6.200 1.00 0.00 N ATOM 578 CA ILE A 41 0.235 3.659 5.318 1.00 0.00 C ATOM 579 C ILE A 41 1.028 4.670 4.489 1.00 0.00 C ATOM 580 O ILE A 41 2.254 4.728 4.581 1.00 0.00 O ATOM 581 CB ILE A 41 -0.527 2.634 4.475 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.520 1.848 5.333 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.438 1.714 3.726 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.798 0.811 6.196 1.00 0.00 C ATOM 0 H ILE A 41 -1.565 4.630 5.774 1.00 0.00 H new ATOM 0 HA ILE A 41 0.958 3.085 5.898 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.106 3.172 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.077 2.534 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.246 1.350 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.129 0.995 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.069 2.309 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.063 1.181 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.527 0.266 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.262 0.112 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.090 1.315 6.854 1.00 0.00 H new ATOM 596 N GLU A 42 0.298 5.442 3.698 1.00 0.00 N ATOM 597 CA GLU A 42 0.918 6.448 2.853 1.00 0.00 C ATOM 598 C GLU A 42 2.041 7.158 3.611 1.00 0.00 C ATOM 599 O GLU A 42 3.154 7.285 3.102 1.00 0.00 O ATOM 600 CB GLU A 42 -0.119 7.451 2.342 1.00 0.00 C ATOM 601 CG GLU A 42 0.422 8.238 1.147 1.00 0.00 C ATOM 602 CD GLU A 42 -0.676 8.482 0.109 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.657 9.166 0.472 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.509 7.978 -1.022 1.00 0.00 O ATOM 0 H GLU A 42 -0.718 5.391 3.624 1.00 0.00 H new ATOM 0 HA GLU A 42 1.350 5.950 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.028 6.924 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.390 8.139 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.824 9.192 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.245 7.690 0.689 1.00 0.00 H new ATOM 611 N ALA A 43 1.711 7.603 4.814 1.00 0.00 N ATOM 612 CA ALA A 43 2.678 8.298 5.647 1.00 0.00 C ATOM 613 C ALA A 43 3.833 7.351 5.977 1.00 0.00 C ATOM 614 O ALA A 43 4.996 7.684 5.752 1.00 0.00 O ATOM 615 CB ALA A 43 1.983 8.829 6.902 1.00 0.00 C ATOM 0 H ALA A 43 0.787 7.496 5.232 1.00 0.00 H new ATOM 0 HA ALA A 43 3.095 9.155 5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.708 9.350 7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.190 9.519 6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.555 7.997 7.461 1.00 0.00 H new ATOM 621 N MET A 44 3.473 6.190 6.504 1.00 0.00 N ATOM 622 CA MET A 44 4.466 5.193 6.867 1.00 0.00 C ATOM 623 C MET A 44 5.584 5.128 5.825 1.00 0.00 C ATOM 624 O MET A 44 6.724 5.492 6.110 1.00 0.00 O ATOM 625 CB MET A 44 3.795 3.823 6.982 1.00 0.00 C ATOM 626 CG MET A 44 4.460 2.975 8.068 1.00 0.00 C ATOM 627 SD MET A 44 3.245 1.936 8.861 1.00 0.00 S ATOM 628 CE MET A 44 2.913 0.783 7.540 1.00 0.00 C ATOM 0 H MET A 44 2.508 5.917 6.688 1.00 0.00 H new ATOM 0 HA MET A 44 4.904 5.475 7.825 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.737 3.951 7.212 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.853 3.305 6.025 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.246 2.360 7.630 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.935 3.622 8.806 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.370 -0.076 7.935 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.312 1.271 6.773 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.854 0.448 7.104 1.00 0.00 H new ATOM 638 N VAL A 45 5.219 4.663 4.640 1.00 0.00 N ATOM 639 CA VAL A 45 6.178 4.546 3.554 1.00 0.00 C ATOM 640 C VAL A 45 6.865 5.896 3.338 1.00 0.00 C ATOM 641 O VAL A 45 8.077 5.954 3.139 1.00 0.00 O ATOM 642 CB VAL A 45 5.482 4.022 2.296 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.455 3.961 1.117 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.844 2.655 2.552 1.00 0.00 C ATOM 0 H VAL A 45 4.272 4.363 4.407 1.00 0.00 H new ATOM 0 HA VAL A 45 6.954 3.823 3.806 1.00 0.00 H new ATOM 0 HB VAL A 45 4.686 4.720 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.935 3.585 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.842 4.959 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.282 3.295 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.356 2.305 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.615 1.943 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.106 2.742 3.349 1.00 0.00 H new ATOM 654 N LYS A 46 6.061 6.948 3.387 1.00 0.00 N ATOM 655 CA LYS A 46 6.576 8.293 3.199 1.00 0.00 C ATOM 656 C LYS A 46 7.766 8.514 4.136 1.00 0.00 C ATOM 657 O LYS A 46 8.878 8.777 3.681 1.00 0.00 O ATOM 658 CB LYS A 46 5.459 9.324 3.371 1.00 0.00 C ATOM 659 CG LYS A 46 5.056 9.926 2.024 1.00 0.00 C ATOM 660 CD LYS A 46 3.539 10.100 1.932 1.00 0.00 C ATOM 661 CE LYS A 46 3.006 10.900 3.122 1.00 0.00 C ATOM 662 NZ LYS A 46 1.652 10.433 3.496 1.00 0.00 N ATOM 0 H LYS A 46 5.056 6.896 3.554 1.00 0.00 H new ATOM 0 HA LYS A 46 6.942 8.421 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.593 8.853 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.791 10.116 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.545 10.891 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.401 9.281 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.283 10.610 1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.058 9.122 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.681 10.794 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.975 11.960 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.543 10.476 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.938 11.042 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.522 9.452 3.175 1.00 0.00 H new ATOM 676 N VAL A 47 7.492 8.398 5.426 1.00 0.00 N ATOM 677 CA VAL A 47 8.525 8.581 6.431 1.00 0.00 C ATOM 678 C VAL A 47 9.609 7.518 6.241 1.00 0.00 C ATOM 679 O VAL A 47 10.798 7.809 6.366 1.00 0.00 O ATOM 680 CB VAL A 47 7.906 8.560 7.830 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.974 9.756 8.035 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.171 7.243 8.084 1.00 0.00 C ATOM 0 H VAL A 47 6.568 8.179 5.799 1.00 0.00 H new ATOM 0 HA VAL A 47 9.000 9.555 6.316 1.00 0.00 H new ATOM 0 HB VAL A 47 8.715 8.638 8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.547 9.717 9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.538 10.681 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.172 9.723 7.298 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.740 7.254 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.376 7.122 7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.872 6.413 8.000 1.00 0.00 H new ATOM 692 N SER A 48 9.161 6.308 5.941 1.00 0.00 N ATOM 693 CA SER A 48 10.077 5.200 5.733 1.00 0.00 C ATOM 694 C SER A 48 11.156 5.596 4.722 1.00 0.00 C ATOM 695 O SER A 48 12.316 5.215 4.866 1.00 0.00 O ATOM 696 CB SER A 48 9.333 3.952 5.254 1.00 0.00 C ATOM 697 OG SER A 48 9.734 2.785 5.966 1.00 0.00 O ATOM 0 H SER A 48 8.174 6.071 5.837 1.00 0.00 H new ATOM 0 HA SER A 48 10.550 4.964 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.260 4.100 5.376 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.516 3.808 4.189 1.00 0.00 H new ATOM 0 HG SER A 48 9.157 2.034 5.714 1.00 0.00 H new ATOM 703 N PHE A 49 10.734 6.356 3.722 1.00 0.00 N ATOM 704 CA PHE A 49 11.649 6.808 2.688 1.00 0.00 C ATOM 705 C PHE A 49 11.858 8.322 2.764 1.00 0.00 C ATOM 706 O PHE A 49 12.397 8.925 1.838 1.00 0.00 O ATOM 707 CB PHE A 49 11.009 6.461 1.342 1.00 0.00 C ATOM 708 CG PHE A 49 11.025 4.967 1.013 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.151 4.393 0.509 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.914 4.212 1.224 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.166 3.007 0.204 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.929 2.825 0.919 1.00 0.00 C ATOM 713 CZ PHE A 49 11.055 2.252 0.415 1.00 0.00 C ATOM 0 H PHE A 49 9.771 6.670 3.606 1.00 0.00 H new ATOM 0 HA PHE A 49 12.619 6.327 2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.977 6.812 1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.531 7.002 0.553 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.034 4.992 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.020 4.667 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.060 2.552 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.047 2.225 1.087 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.067 1.197 0.182 1.00 0.00 H new ATOM 723 N ASP A 50 11.420 8.893 3.877 1.00 0.00 N ATOM 724 CA ASP A 50 11.552 10.324 4.086 1.00 0.00 C ATOM 725 C ASP A 50 11.140 11.062 2.810 1.00 0.00 C ATOM 726 O ASP A 50 11.978 11.655 2.134 1.00 0.00 O ATOM 727 CB ASP A 50 13.000 10.703 4.404 1.00 0.00 C ATOM 728 CG ASP A 50 13.168 11.984 5.224 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.123 12.562 5.594 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.337 12.355 5.463 1.00 0.00 O ATOM 0 H ASP A 50 10.973 8.390 4.643 1.00 0.00 H new ATOM 0 HA ASP A 50 10.914 10.602 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.465 9.879 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.545 10.816 3.467 1.00 0.00 H new ATOM 735 N LEU A 51 9.849 11.000 2.520 1.00 0.00 N ATOM 736 CA LEU A 51 9.315 11.655 1.338 1.00 0.00 C ATOM 737 C LEU A 51 8.145 12.554 1.742 1.00 0.00 C ATOM 738 O LEU A 51 7.259 12.130 2.483 1.00 0.00 O ATOM 739 CB LEU A 51 8.956 10.621 0.269 1.00 0.00 C ATOM 740 CG LEU A 51 10.101 9.727 -0.211 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.571 8.558 -1.044 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.152 10.541 -0.968 1.00 0.00 C ATOM 0 H LEU A 51 9.157 10.506 3.083 1.00 0.00 H new ATOM 0 HA LEU A 51 10.070 12.299 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.163 9.983 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.546 11.147 -0.593 1.00 0.00 H new ATOM 0 HG LEU A 51 10.593 9.302 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.405 7.938 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.890 7.959 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.040 8.943 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.955 9.882 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.691 11.014 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.560 11.309 -0.311 1.00 0.00 H new ATOM 754 N ASN A 52 8.179 13.779 1.238 1.00 0.00 N ATOM 755 CA ASN A 52 7.132 14.741 1.537 1.00 0.00 C ATOM 756 C ASN A 52 5.797 14.217 1.005 1.00 0.00 C ATOM 757 O ASN A 52 4.826 14.109 1.752 1.00 0.00 O ATOM 758 CB ASN A 52 7.413 16.087 0.867 1.00 0.00 C ATOM 759 CG ASN A 52 7.817 17.140 1.900 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.783 16.992 2.631 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.027 18.210 1.920 1.00 0.00 N ATOM 0 H ASN A 52 8.916 14.127 0.624 1.00 0.00 H new ATOM 0 HA ASN A 52 7.098 14.877 2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.208 15.972 0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.526 16.422 0.329 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.214 18.970 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.234 18.271 1.281 1.00 0.00 H new ATOM 768 N THR A 53 5.791 13.906 -0.283 1.00 0.00 N ATOM 769 CA THR A 53 4.591 13.396 -0.924 1.00 0.00 C ATOM 770 C THR A 53 4.945 12.279 -1.908 1.00 0.00 C ATOM 771 O THR A 53 5.874 12.418 -2.702 1.00 0.00 O ATOM 772 CB THR A 53 3.867 14.575 -1.578 1.00 0.00 C ATOM 773 OG1 THR A 53 4.884 15.236 -2.325 1.00 0.00 O ATOM 774 CG2 THR A 53 3.413 15.622 -0.559 1.00 0.00 C ATOM 0 H THR A 53 6.598 13.997 -0.900 1.00 0.00 H new ATOM 0 HA THR A 53 3.916 12.944 -0.197 1.00 0.00 H new ATOM 0 HB THR A 53 3.002 14.208 -2.131 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.514 14.573 -2.677 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.905 16.436 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.729 15.163 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.281 16.014 -0.029 1.00 0.00 H new ATOM 782 N ILE A 54 4.186 11.197 -1.823 1.00 0.00 N ATOM 783 CA ILE A 54 4.408 10.057 -2.696 1.00 0.00 C ATOM 784 C ILE A 54 3.073 9.614 -3.299 1.00 0.00 C ATOM 785 O ILE A 54 2.019 10.130 -2.930 1.00 0.00 O ATOM 786 CB ILE A 54 5.144 8.944 -1.947 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.270 8.360 -0.835 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.492 9.438 -1.418 1.00 0.00 C ATOM 789 CD1 ILE A 54 5.030 7.294 -0.043 1.00 0.00 C ATOM 0 H ILE A 54 3.416 11.085 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 54 5.057 10.334 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 54 5.350 8.137 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.949 9.157 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.369 7.924 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.995 8.628 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.112 9.767 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.331 10.272 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.386 6.895 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.329 6.487 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.917 7.739 0.407 1.00 0.00 H new ATOM 801 N GLN A 55 3.161 8.662 -4.216 1.00 0.00 N ATOM 802 CA GLN A 55 1.974 8.143 -4.874 1.00 0.00 C ATOM 803 C GLN A 55 2.081 6.627 -5.046 1.00 0.00 C ATOM 804 O GLN A 55 2.107 6.126 -6.169 1.00 0.00 O ATOM 805 CB GLN A 55 1.748 8.833 -6.220 1.00 0.00 C ATOM 806 CG GLN A 55 0.277 8.755 -6.636 1.00 0.00 C ATOM 807 CD GLN A 55 -0.597 9.620 -5.725 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.412 10.820 -5.602 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.556 8.947 -5.097 1.00 0.00 N ATOM 0 H GLN A 55 4.037 8.236 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 55 1.111 8.357 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.056 9.876 -6.154 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.371 8.364 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.170 9.085 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.062 7.720 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.655 7.943 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.193 9.435 -4.467 1.00 0.00 H new ATOM 818 N ILE A 56 2.142 5.938 -3.915 1.00 0.00 N ATOM 819 CA ILE A 56 2.246 4.489 -3.927 1.00 0.00 C ATOM 820 C ILE A 56 1.359 3.927 -5.040 1.00 0.00 C ATOM 821 O ILE A 56 0.385 4.561 -5.442 1.00 0.00 O ATOM 822 CB ILE A 56 1.932 3.918 -2.543 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.936 4.419 -1.502 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.862 2.390 -2.582 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.236 4.761 -0.185 1.00 0.00 C ATOM 0 H ILE A 56 2.121 6.357 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 56 3.268 4.182 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 56 0.948 4.278 -2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.695 3.656 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.452 5.300 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.637 2.010 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.079 2.079 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.820 1.990 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.972 5.114 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.495 5.541 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.742 3.872 0.206 1.00 0.00 H new ATOM 837 N LYS A 57 1.728 2.743 -5.505 1.00 0.00 N ATOM 838 CA LYS A 57 0.978 2.088 -6.564 1.00 0.00 C ATOM 839 C LYS A 57 1.156 0.573 -6.447 1.00 0.00 C ATOM 840 O LYS A 57 2.276 0.069 -6.508 1.00 0.00 O ATOM 841 CB LYS A 57 1.377 2.650 -7.930 1.00 0.00 C ATOM 842 CG LYS A 57 0.695 3.995 -8.190 1.00 0.00 C ATOM 843 CD LYS A 57 0.224 4.099 -9.641 1.00 0.00 C ATOM 844 CE LYS A 57 0.006 5.559 -10.044 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.195 5.688 -10.899 1.00 0.00 N ATOM 0 H LYS A 57 2.536 2.220 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.087 2.294 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.459 2.772 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.103 1.942 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.156 4.111 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.388 4.807 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.962 3.643 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.704 3.541 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.108 6.175 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.881 5.929 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.615 6.631 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.926 5.564 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.889 4.960 -10.634 1.00 0.00 H new ATOM 859 N TYR A 58 0.033 -0.111 -6.281 1.00 0.00 N ATOM 860 CA TYR A 58 0.050 -1.559 -6.155 1.00 0.00 C ATOM 861 C TYR A 58 -0.518 -2.225 -7.409 1.00 0.00 C ATOM 862 O TYR A 58 -1.478 -1.731 -7.998 1.00 0.00 O ATOM 863 CB TYR A 58 -0.851 -1.889 -4.963 1.00 0.00 C ATOM 864 CG TYR A 58 -2.340 -1.948 -5.307 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.849 -3.035 -5.989 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.176 -0.914 -4.936 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.251 -3.091 -6.312 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.578 -0.970 -5.260 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.046 -2.055 -5.932 1.00 0.00 C ATOM 870 OH TYR A 58 -6.370 -2.108 -6.238 1.00 0.00 O ATOM 0 H TYR A 58 -0.894 0.311 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 58 1.069 -1.921 -6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.547 -2.849 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.697 -1.140 -4.186 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.195 -3.844 -6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.779 -0.063 -4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.662 -3.936 -6.844 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.243 -0.168 -4.975 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.484 -2.501 -7.129 1.00 0.00 H new ATOM 880 N LEU A 59 0.099 -3.337 -7.781 1.00 0.00 N ATOM 881 CA LEU A 59 -0.333 -4.076 -8.955 1.00 0.00 C ATOM 882 C LEU A 59 -1.587 -4.883 -8.611 1.00 0.00 C ATOM 883 O LEU A 59 -1.589 -5.657 -7.655 1.00 0.00 O ATOM 884 CB LEU A 59 0.814 -4.927 -9.505 1.00 0.00 C ATOM 885 CG LEU A 59 1.767 -4.223 -10.473 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.714 -5.225 -11.135 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.991 -3.400 -11.504 1.00 0.00 C ATOM 0 H LEU A 59 0.895 -3.744 -7.290 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.604 -3.391 -9.758 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.396 -5.305 -8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.387 -5.793 -10.012 1.00 0.00 H new ATOM 0 HG LEU A 59 2.382 -3.527 -9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.381 -4.699 -11.818 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.303 -5.729 -10.369 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.134 -5.962 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.692 -2.910 -12.180 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.335 -4.057 -12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.393 -2.646 -10.992 1.00 0.00 H new ATOM 899 N ASP A 60 -2.624 -4.673 -9.409 1.00 0.00 N ATOM 900 CA ASP A 60 -3.881 -5.371 -9.201 1.00 0.00 C ATOM 901 C ASP A 60 -3.768 -6.793 -9.754 1.00 0.00 C ATOM 902 O ASP A 60 -2.669 -7.334 -9.864 1.00 0.00 O ATOM 903 CB ASP A 60 -5.028 -4.669 -9.932 1.00 0.00 C ATOM 904 CG ASP A 60 -6.305 -4.489 -9.109 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.809 -5.519 -8.610 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.748 -3.326 -8.997 1.00 0.00 O ATOM 0 H ASP A 60 -2.619 -4.030 -10.200 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.088 -5.382 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.684 -3.688 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.269 -5.238 -10.830 1.00 0.00 H new ATOM 911 N GLU A 61 -4.919 -7.358 -10.087 1.00 0.00 N ATOM 912 CA GLU A 61 -4.963 -8.706 -10.626 1.00 0.00 C ATOM 913 C GLU A 61 -4.783 -8.677 -12.145 1.00 0.00 C ATOM 914 O GLU A 61 -5.062 -9.663 -12.825 1.00 0.00 O ATOM 915 CB GLU A 61 -6.267 -9.408 -10.242 1.00 0.00 C ATOM 916 CG GLU A 61 -6.261 -9.808 -8.765 1.00 0.00 C ATOM 917 CD GLU A 61 -6.868 -11.198 -8.570 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.929 -11.445 -9.184 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.259 -11.983 -7.812 1.00 0.00 O ATOM 0 H GLU A 61 -5.829 -6.906 -9.994 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.141 -9.276 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.111 -8.748 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.403 -10.294 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.239 -9.797 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.824 -9.077 -8.185 1.00 0.00 H new ATOM 926 N GLU A 62 -4.317 -7.536 -12.632 1.00 0.00 N ATOM 927 CA GLU A 62 -4.096 -7.366 -14.057 1.00 0.00 C ATOM 928 C GLU A 62 -2.664 -6.896 -14.320 1.00 0.00 C ATOM 929 O GLU A 62 -2.293 -6.633 -15.463 1.00 0.00 O ATOM 930 CB GLU A 62 -5.112 -6.391 -14.657 1.00 0.00 C ATOM 931 CG GLU A 62 -6.538 -6.923 -14.505 1.00 0.00 C ATOM 932 CD GLU A 62 -7.370 -6.627 -15.755 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.283 -7.440 -16.700 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.073 -5.593 -15.737 1.00 0.00 O ATOM 0 H GLU A 62 -4.087 -6.720 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.236 -8.331 -14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.027 -5.423 -14.164 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.890 -6.232 -15.712 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.512 -7.998 -14.327 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.009 -6.467 -13.634 1.00 0.00 H new ATOM 941 N ASN A 63 -1.898 -6.806 -13.243 1.00 0.00 N ATOM 942 CA ASN A 63 -0.515 -6.372 -13.343 1.00 0.00 C ATOM 943 C ASN A 63 -0.475 -4.876 -13.659 1.00 0.00 C ATOM 944 O ASN A 63 0.499 -4.383 -14.226 1.00 0.00 O ATOM 945 CB ASN A 63 0.215 -7.112 -14.466 1.00 0.00 C ATOM 946 CG ASN A 63 1.386 -7.928 -13.916 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.054 -7.543 -12.970 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.598 -9.073 -14.559 1.00 0.00 N ATOM 0 H ASN A 63 -2.209 -7.026 -12.297 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.026 -6.585 -12.393 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.481 -7.772 -14.984 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.581 -6.395 -15.201 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.357 -9.689 -14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.001 -9.335 -15.343 1.00 0.00 H new ATOM 955 N GLU A 64 -1.546 -4.194 -13.278 1.00 0.00 N ATOM 956 CA GLU A 64 -1.645 -2.764 -13.513 1.00 0.00 C ATOM 957 C GLU A 64 -1.497 -1.998 -12.197 1.00 0.00 C ATOM 958 O GLU A 64 -2.186 -2.293 -11.222 1.00 0.00 O ATOM 959 CB GLU A 64 -2.963 -2.413 -14.207 1.00 0.00 C ATOM 960 CG GLU A 64 -2.895 -2.722 -15.703 1.00 0.00 C ATOM 961 CD GLU A 64 -4.200 -2.335 -16.403 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.559 -1.142 -16.314 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.808 -3.242 -17.012 1.00 0.00 O ATOM 0 H GLU A 64 -2.352 -4.606 -12.808 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.833 -2.467 -14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.778 -2.976 -13.753 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.185 -1.356 -14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.063 -2.180 -16.152 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.700 -3.784 -15.850 1.00 0.00 H new ATOM 970 N GLU A 65 -0.593 -1.029 -12.212 1.00 0.00 N ATOM 971 CA GLU A 65 -0.345 -0.218 -11.032 1.00 0.00 C ATOM 972 C GLU A 65 -1.632 0.482 -10.590 1.00 0.00 C ATOM 973 O GLU A 65 -2.288 1.146 -11.392 1.00 0.00 O ATOM 974 CB GLU A 65 0.772 0.795 -11.288 1.00 0.00 C ATOM 975 CG GLU A 65 2.146 0.173 -11.035 1.00 0.00 C ATOM 976 CD GLU A 65 3.242 1.240 -11.047 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.127 2.163 -11.882 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.171 1.109 -10.221 1.00 0.00 O ATOM 0 H GLU A 65 -0.023 -0.787 -13.023 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.016 -0.874 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.715 1.153 -12.316 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.637 1.662 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.145 -0.341 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.355 -0.577 -11.798 1.00 0.00 H new ATOM 985 N VAL A 66 -1.953 0.312 -9.317 1.00 0.00 N ATOM 986 CA VAL A 66 -3.149 0.920 -8.759 1.00 0.00 C ATOM 987 C VAL A 66 -2.748 1.923 -7.675 1.00 0.00 C ATOM 988 O VAL A 66 -2.107 1.556 -6.692 1.00 0.00 O ATOM 989 CB VAL A 66 -4.098 -0.166 -8.246 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.363 0.450 -7.646 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.445 -1.159 -9.357 1.00 0.00 C ATOM 0 H VAL A 66 -1.406 -0.238 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.691 1.471 -9.528 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.585 -0.713 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.020 -0.343 -7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.092 1.099 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.880 1.034 -8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.120 -1.920 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.929 -0.631 -10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.533 -1.634 -9.718 1.00 0.00 H new ATOM 1001 N SER A 67 -3.142 3.169 -7.892 1.00 0.00 N ATOM 1002 CA SER A 67 -2.832 4.227 -6.946 1.00 0.00 C ATOM 1003 C SER A 67 -3.892 4.272 -5.844 1.00 0.00 C ATOM 1004 O SER A 67 -5.089 4.234 -6.127 1.00 0.00 O ATOM 1005 CB SER A 67 -2.739 5.583 -7.648 1.00 0.00 C ATOM 1006 OG SER A 67 -1.539 6.276 -7.315 1.00 0.00 O ATOM 0 H SER A 67 -3.673 3.470 -8.709 1.00 0.00 H new ATOM 0 HA SER A 67 -1.862 4.012 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.785 5.436 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.599 6.194 -7.372 1.00 0.00 H new ATOM 0 HG SER A 67 -1.172 5.913 -6.482 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.415 4.352 -4.611 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.307 4.403 -3.465 1.00 0.00 C ATOM 1014 C ILE A 68 -4.280 5.810 -2.864 1.00 0.00 C ATOM 1015 O ILE A 68 -3.227 6.292 -2.452 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.957 3.300 -2.464 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.643 1.986 -3.183 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.065 3.133 -1.422 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.166 0.920 -2.195 1.00 0.00 C ATOM 0 H ILE A 68 -2.422 4.383 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.334 4.208 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.055 3.598 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.532 1.631 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.876 2.155 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.791 2.343 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.197 4.069 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.997 2.868 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.950 -0.003 -2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.263 1.267 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.945 0.735 -1.455 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.451 6.428 -2.835 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.575 7.770 -2.292 1.00 0.00 C ATOM 1033 C ASN A 69 -6.443 7.728 -1.032 1.00 0.00 C ATOM 1034 O ASN A 69 -6.160 8.420 -0.056 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.244 8.711 -3.295 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.207 9.587 -4.001 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.044 10.760 -3.708 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.517 8.954 -4.946 1.00 0.00 N ATOM 0 H ASN A 69 -6.322 6.024 -3.179 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.573 8.136 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.796 8.129 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.968 9.342 -2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.801 9.452 -5.475 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.704 7.970 -5.141 1.00 0.00 H new ATOM 1045 N SER A 70 -7.482 6.909 -1.096 1.00 0.00 N ATOM 1046 CA SER A 70 -8.393 6.767 0.027 1.00 0.00 C ATOM 1047 C SER A 70 -8.338 5.337 0.569 1.00 0.00 C ATOM 1048 O SER A 70 -7.723 4.463 -0.039 1.00 0.00 O ATOM 1049 CB SER A 70 -9.825 7.127 -0.376 1.00 0.00 C ATOM 1050 OG SER A 70 -10.465 7.943 0.601 1.00 0.00 O ATOM 0 H SER A 70 -7.713 6.337 -1.908 1.00 0.00 H new ATOM 0 HA SER A 70 -8.080 7.458 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.812 7.649 -1.333 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.402 6.213 -0.520 1.00 0.00 H new ATOM 0 HG SER A 70 -11.376 8.152 0.306 1.00 0.00 H new ATOM 1056 N GLN A 71 -8.989 5.144 1.707 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.022 3.835 2.337 1.00 0.00 C ATOM 1058 C GLN A 71 -9.612 2.799 1.378 1.00 0.00 C ATOM 1059 O GLN A 71 -9.006 1.756 1.137 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.808 3.878 3.649 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.940 2.479 4.255 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.132 2.364 5.549 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.450 2.961 6.565 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.073 1.564 5.456 1.00 0.00 N ATOM 0 H GLN A 71 -9.498 5.872 2.209 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.999 3.541 2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.306 4.539 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.799 4.296 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.989 2.264 4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.594 1.734 3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.864 1.095 4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.470 1.420 6.266 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.786 3.122 0.858 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.465 2.232 -0.069 1.00 0.00 C ATOM 1075 C GLY A 72 -10.476 1.619 -1.063 1.00 0.00 C ATOM 1076 O GLY A 72 -10.460 0.405 -1.260 1.00 0.00 O ATOM 0 H GLY A 72 -11.285 3.988 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.968 1.439 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.235 2.782 -0.609 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.676 2.487 -1.665 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.687 2.046 -2.633 1.00 0.00 C ATOM 1082 C GLU A 73 -7.737 1.029 -1.997 1.00 0.00 C ATOM 1083 O GLU A 73 -7.323 0.070 -2.647 1.00 0.00 O ATOM 1084 CB GLU A 73 -7.913 3.235 -3.207 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.661 3.857 -4.388 1.00 0.00 C ATOM 1086 CD GLU A 73 -9.071 5.299 -4.080 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -8.322 5.952 -3.321 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -10.124 5.715 -4.609 1.00 0.00 O ATOM 0 H GLU A 73 -9.693 3.494 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.207 1.560 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.764 3.985 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.924 2.909 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.028 3.837 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.547 3.264 -4.615 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.419 1.274 -0.735 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.526 0.392 -0.003 1.00 0.00 C ATOM 1097 C TYR A 74 -7.230 -0.914 0.371 1.00 0.00 C ATOM 1098 O TYR A 74 -6.719 -1.999 0.098 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.149 1.140 1.277 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.023 0.479 2.075 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -3.969 -0.119 1.416 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.063 0.481 3.455 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -2.909 -0.741 2.167 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.003 -0.141 4.206 1.00 0.00 C ATOM 1105 CZ TYR A 74 -2.979 -0.721 3.525 1.00 0.00 C ATOM 1106 OH TYR A 74 -1.978 -1.308 4.235 1.00 0.00 O ATOM 0 H TYR A 74 -7.764 2.071 -0.200 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.657 0.137 -0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.849 2.155 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.031 1.221 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.939 -0.121 0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.889 0.949 3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.078 -1.212 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.021 -0.147 5.286 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.357 -1.785 5.002 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.392 -0.766 0.991 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.171 -1.919 1.406 1.00 0.00 C ATOM 1118 C GLU A 75 -9.105 -3.015 0.340 1.00 0.00 C ATOM 1119 O GLU A 75 -8.559 -4.090 0.583 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.620 -1.526 1.699 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.717 -0.714 2.992 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.926 -1.150 3.823 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -13.021 -0.610 3.558 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.727 -2.013 4.705 1.00 0.00 O ATOM 0 H GLU A 75 -8.812 0.136 1.216 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.742 -2.310 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.017 -0.943 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.234 -2.423 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.805 -0.842 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.798 0.347 2.755 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.670 -2.705 -0.817 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.682 -3.651 -1.921 1.00 0.00 C ATOM 1133 C GLU A 76 -8.289 -4.252 -2.120 1.00 0.00 C ATOM 1134 O GLU A 76 -8.134 -5.472 -2.147 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.182 -2.987 -3.206 1.00 0.00 C ATOM 1136 CG GLU A 76 -9.344 -1.753 -3.548 1.00 0.00 C ATOM 1137 CD GLU A 76 -10.061 -0.870 -4.571 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -9.928 -1.175 -5.776 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -10.725 0.090 -4.125 1.00 0.00 O ATOM 0 H GLU A 76 -10.123 -1.813 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.372 -4.458 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.138 -3.700 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.227 -2.700 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.147 -1.180 -2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.377 -2.064 -3.945 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.312 -3.368 -2.256 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.937 -3.796 -2.452 1.00 0.00 C ATOM 1148 C ALA A 77 -5.570 -4.825 -1.381 1.00 0.00 C ATOM 1149 O ALA A 77 -4.909 -5.820 -1.673 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.014 -2.576 -2.429 1.00 0.00 C ATOM 0 H ALA A 77 -7.445 -2.357 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.819 -4.275 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.983 -2.897 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.298 -1.890 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.103 -2.070 -1.467 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.017 -4.550 -0.164 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.743 -5.440 0.951 1.00 0.00 C ATOM 1158 C LEU A 78 -6.468 -6.769 0.728 1.00 0.00 C ATOM 1159 O LEU A 78 -5.966 -7.825 1.108 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.098 -4.762 2.276 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.057 -3.787 2.830 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.649 -2.932 3.953 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.795 -4.527 3.278 1.00 0.00 C ATOM 0 H LEU A 78 -6.566 -3.724 0.074 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.678 -5.663 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.037 -4.225 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.275 -5.537 3.022 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.765 -3.109 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.888 -2.248 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.493 -2.360 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.988 -3.579 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.072 -3.810 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.051 -5.244 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.362 -5.054 2.428 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.637 -6.672 0.112 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.435 -7.854 -0.167 1.00 0.00 C ATOM 1177 C LYS A 79 -7.730 -8.703 -1.227 1.00 0.00 C ATOM 1178 O LYS A 79 -7.712 -9.929 -1.134 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.863 -7.458 -0.548 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.639 -6.963 0.675 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.342 -5.637 0.379 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.328 -5.279 1.492 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.262 -4.225 1.037 1.00 0.00 N ATOM 0 H LYS A 79 -8.051 -5.794 -0.202 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.526 -8.471 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.837 -6.677 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.377 -8.313 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.375 -7.711 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.957 -6.837 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.601 -4.844 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.871 -5.706 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.888 -6.166 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.784 -4.936 2.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.787 -3.850 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.725 -3.456 0.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.932 -4.627 0.350 1.00 0.00 H new ATOM 1197 N MET A 80 -7.165 -8.016 -2.209 1.00 0.00 N ATOM 1198 CA MET A 80 -6.460 -8.692 -3.285 1.00 0.00 C ATOM 1199 C MET A 80 -5.184 -9.360 -2.770 1.00 0.00 C ATOM 1200 O MET A 80 -4.808 -10.433 -3.239 1.00 0.00 O ATOM 1201 CB MET A 80 -6.102 -7.680 -4.376 1.00 0.00 C ATOM 1202 CG MET A 80 -6.105 -8.338 -5.757 1.00 0.00 C ATOM 1203 SD MET A 80 -5.244 -7.303 -6.928 1.00 0.00 S ATOM 1204 CE MET A 80 -3.555 -7.733 -6.541 1.00 0.00 C ATOM 0 H MET A 80 -7.181 -6.999 -2.282 1.00 0.00 H new ATOM 0 HA MET A 80 -7.113 -9.464 -3.693 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.815 -6.856 -4.360 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.119 -7.255 -4.174 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.627 -9.316 -5.704 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.130 -8.502 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 80 -3.055 -6.876 -6.090 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.543 -8.569 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 80 -3.033 -8.017 -7.455 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.553 -8.697 -1.812 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.326 -9.213 -1.228 1.00 0.00 C ATOM 1216 C ALA A 81 -3.577 -10.623 -0.688 1.00 0.00 C ATOM 1217 O ALA A 81 -2.733 -11.506 -0.832 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.834 -8.253 -0.143 1.00 0.00 C ATOM 0 H ALA A 81 -4.868 -7.807 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.542 -9.283 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.914 -8.640 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.643 -7.274 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.594 -8.160 0.633 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.742 -10.790 -0.079 1.00 0.00 N ATOM 1225 CA VAL A 82 -5.115 -12.077 0.483 1.00 0.00 C ATOM 1226 C VAL A 82 -5.049 -13.144 -0.611 1.00 0.00 C ATOM 1227 O VAL A 82 -4.530 -14.236 -0.387 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.492 -11.981 1.143 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.949 -13.346 1.659 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.490 -10.942 2.266 1.00 0.00 C ATOM 0 H VAL A 82 -5.440 -10.055 0.037 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.415 -12.370 1.265 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.205 -11.654 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.930 -13.249 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.009 -14.048 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.234 -13.715 2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.480 -10.893 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.759 -11.226 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.229 -9.966 1.858 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.583 -12.790 -1.771 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.592 -13.704 -2.901 1.00 0.00 C ATOM 1242 C LYS A 83 -4.153 -14.086 -3.254 1.00 0.00 C ATOM 1243 O LYS A 83 -3.842 -15.264 -3.418 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.374 -13.103 -4.070 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.824 -12.822 -3.674 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.757 -12.951 -4.879 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.566 -11.668 -5.087 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.995 -11.986 -5.303 1.00 0.00 N ATOM 0 H LYS A 83 -6.013 -11.883 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.112 -14.626 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.896 -12.178 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.351 -13.788 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.133 -13.518 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.902 -11.819 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.173 -13.166 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.434 -13.792 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.459 -11.019 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.176 -11.120 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.530 -11.105 -5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.093 -12.588 -6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.368 -12.489 -4.473 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.314 -13.066 -3.361 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.915 -13.279 -3.691 1.00 0.00 C ATOM 1264 C GLN A 84 -1.274 -14.244 -2.691 1.00 0.00 C ATOM 1265 O GLN A 84 -0.899 -15.358 -3.051 1.00 0.00 O ATOM 1266 CB GLN A 84 -1.154 -11.953 -3.738 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.954 -10.888 -4.492 1.00 0.00 C ATOM 1268 CD GLN A 84 -1.141 -10.310 -5.652 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.560 -11.023 -6.452 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -1.134 -8.981 -5.697 1.00 0.00 N ATOM 0 H GLN A 84 -3.576 -12.090 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.861 -13.726 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.951 -11.610 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.189 -12.100 -4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.878 -11.324 -4.872 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.237 -10.088 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.643 -8.444 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.620 -8.498 -6.434 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.168 -13.779 -1.455 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.579 -14.587 -0.400 1.00 0.00 C ATOM 1281 C GLY A 85 -0.282 -13.739 0.838 1.00 0.00 C ATOM 1282 O GLY A 85 0.769 -13.889 1.460 1.00 0.00 O ATOM 0 H GLY A 85 -1.480 -12.854 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.258 -15.398 -0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.341 -15.047 -0.760 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.226 -12.867 1.160 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.079 -11.995 2.313 1.00 0.00 C ATOM 1288 C ASN A 86 0.030 -10.977 2.039 1.00 0.00 C ATOM 1289 O ASN A 86 0.711 -10.532 2.961 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.691 -12.792 3.560 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.607 -14.004 3.743 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.403 -15.061 3.169 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.624 -13.792 4.573 1.00 0.00 N ATOM 0 H ASN A 86 -2.096 -12.746 0.642 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.034 -11.499 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.344 -13.123 3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.751 -12.150 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.292 -14.539 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.736 -12.882 5.020 1.00 0.00 H new ATOM 1300 N GLN A 87 0.177 -10.639 0.766 1.00 0.00 N ATOM 1301 CA GLN A 87 1.192 -9.682 0.359 1.00 0.00 C ATOM 1302 C GLN A 87 0.694 -8.853 -0.827 1.00 0.00 C ATOM 1303 O GLN A 87 -0.180 -9.292 -1.573 1.00 0.00 O ATOM 1304 CB GLN A 87 2.507 -10.387 0.021 1.00 0.00 C ATOM 1305 CG GLN A 87 2.368 -11.225 -1.252 1.00 0.00 C ATOM 1306 CD GLN A 87 2.797 -10.425 -2.484 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.285 -9.311 -2.394 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.587 -11.054 -3.637 1.00 0.00 N ATOM 0 H GLN A 87 -0.389 -11.011 0.003 1.00 0.00 H new ATOM 0 HA GLN A 87 1.384 -9.008 1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.297 -9.648 -0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.805 -11.027 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.977 -12.125 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.334 -11.550 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.174 -11.987 -3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.839 -10.604 -4.517 1.00 0.00 H new ATOM 1317 N LEU A 88 1.272 -7.668 -0.964 1.00 0.00 N ATOM 1318 CA LEU A 88 0.898 -6.774 -2.046 1.00 0.00 C ATOM 1319 C LEU A 88 2.146 -6.056 -2.564 1.00 0.00 C ATOM 1320 O LEU A 88 2.952 -5.559 -1.778 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.215 -5.825 -1.597 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.946 -5.073 -2.711 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.576 -6.047 -3.708 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.975 -4.100 -2.132 1.00 0.00 C ATOM 0 H LEU A 88 1.996 -7.307 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 88 0.485 -7.340 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.949 -6.399 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.213 -5.093 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.215 -4.479 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.089 -5.487 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.797 -6.664 -4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.291 -6.686 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.480 -3.578 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.708 -4.653 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.471 -3.375 -1.494 1.00 0.00 H new ATOM 1336 N GLN A 89 2.268 -6.024 -3.883 1.00 0.00 N ATOM 1337 CA GLN A 89 3.404 -5.376 -4.514 1.00 0.00 C ATOM 1338 C GLN A 89 3.091 -3.903 -4.786 1.00 0.00 C ATOM 1339 O GLN A 89 2.435 -3.576 -5.774 1.00 0.00 O ATOM 1340 CB GLN A 89 3.802 -6.099 -5.802 1.00 0.00 C ATOM 1341 CG GLN A 89 5.020 -6.997 -5.574 1.00 0.00 C ATOM 1342 CD GLN A 89 4.676 -8.464 -5.840 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.980 -9.113 -5.077 1.00 0.00 O ATOM 1344 NE2 GLN A 89 5.203 -8.948 -6.961 1.00 0.00 N ATOM 0 H GLN A 89 1.598 -6.437 -4.532 1.00 0.00 H new ATOM 0 HA GLN A 89 4.252 -5.427 -3.831 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.965 -6.699 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.025 -5.368 -6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.834 -6.686 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.374 -6.883 -4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.777 -8.349 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.033 -9.918 -7.227 1.00 0.00 H new ATOM 1353 N MET A 90 3.576 -3.053 -3.893 1.00 0.00 N ATOM 1354 CA MET A 90 3.356 -1.623 -4.024 1.00 0.00 C ATOM 1355 C MET A 90 4.623 -0.916 -4.510 1.00 0.00 C ATOM 1356 O MET A 90 5.734 -1.355 -4.218 1.00 0.00 O ATOM 1357 CB MET A 90 2.936 -1.045 -2.671 1.00 0.00 C ATOM 1358 CG MET A 90 1.675 -1.735 -2.147 1.00 0.00 C ATOM 1359 SD MET A 90 1.551 -1.520 -0.380 1.00 0.00 S ATOM 1360 CE MET A 90 0.283 -0.265 -0.310 1.00 0.00 C ATOM 0 H MET A 90 4.121 -3.327 -3.076 1.00 0.00 H new ATOM 0 HA MET A 90 2.567 -1.461 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.746 -1.166 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.755 0.025 -2.769 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.794 -1.319 -2.635 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.703 -2.797 -2.391 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.557 0.488 0.428 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.182 0.205 -1.288 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.666 -0.722 -0.027 1.00 0.00 H new ATOM 1370 N GLN A 91 4.413 0.167 -5.244 1.00 0.00 N ATOM 1371 CA GLN A 91 5.524 0.939 -5.774 1.00 0.00 C ATOM 1372 C GLN A 91 5.357 2.419 -5.423 1.00 0.00 C ATOM 1373 O GLN A 91 4.373 3.046 -5.813 1.00 0.00 O ATOM 1374 CB GLN A 91 5.655 0.745 -7.286 1.00 0.00 C ATOM 1375 CG GLN A 91 6.354 -0.576 -7.610 1.00 0.00 C ATOM 1376 CD GLN A 91 6.383 -0.824 -9.120 1.00 0.00 C ATOM 1377 OE1 GLN A 91 7.226 -0.318 -9.842 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.418 -1.630 -9.554 1.00 0.00 N ATOM 0 H GLN A 91 3.490 0.528 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 91 6.444 0.578 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.667 0.760 -7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.218 1.574 -7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.372 -0.558 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.837 -1.397 -7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.744 -2.020 -8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.352 -1.858 -10.546 1.00 0.00 H new ATOM 1387 N VAL A 92 6.334 2.935 -4.691 1.00 0.00 N ATOM 1388 CA VAL A 92 6.307 4.330 -4.284 1.00 0.00 C ATOM 1389 C VAL A 92 6.576 5.217 -5.500 1.00 0.00 C ATOM 1390 O VAL A 92 7.426 4.898 -6.330 1.00 0.00 O ATOM 1391 CB VAL A 92 7.301 4.561 -3.144 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.913 5.961 -3.225 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.639 4.330 -1.784 1.00 0.00 C ATOM 0 H VAL A 92 7.149 2.412 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 92 5.323 4.597 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 92 8.108 3.836 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.616 6.099 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.437 6.075 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.122 6.708 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.367 4.501 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.804 5.020 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.274 3.305 -1.727 1.00 0.00 H new ATOM 1403 N HIS A 93 5.835 6.313 -5.568 1.00 0.00 N ATOM 1404 CA HIS A 93 5.983 7.249 -6.670 1.00 0.00 C ATOM 1405 C HIS A 93 5.921 8.682 -6.138 1.00 0.00 C ATOM 1406 O HIS A 93 4.840 9.253 -6.006 1.00 0.00 O ATOM 1407 CB HIS A 93 4.943 6.976 -7.758 1.00 0.00 C ATOM 1408 CG HIS A 93 5.292 5.821 -8.666 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.305 5.887 -9.607 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.755 4.571 -8.765 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.365 4.724 -10.239 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.403 3.910 -9.716 1.00 0.00 N ATOM 0 H HIS A 93 5.130 6.574 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 93 6.958 7.114 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.982 6.775 -7.285 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.820 7.875 -8.362 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.940 4.185 -8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.054 4.466 -11.029 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.213 2.951 -10.008 1.00 0.00 H new ATOM 1420 N GLU A 94 7.095 9.222 -5.846 1.00 0.00 N ATOM 1421 CA GLU A 94 7.189 10.578 -5.331 1.00 0.00 C ATOM 1422 C GLU A 94 6.228 11.500 -6.086 1.00 0.00 C ATOM 1423 O GLU A 94 5.966 11.293 -7.270 1.00 0.00 O ATOM 1424 CB GLU A 94 8.625 11.098 -5.413 1.00 0.00 C ATOM 1425 CG GLU A 94 9.183 11.389 -4.018 1.00 0.00 C ATOM 1426 CD GLU A 94 9.267 12.896 -3.766 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.740 13.600 -4.684 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.857 13.310 -2.660 1.00 0.00 O ATOM 0 H GLU A 94 7.990 8.745 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 94 6.901 10.567 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.254 10.362 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.653 12.005 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.547 10.925 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.173 10.944 -3.918 1.00 0.00 H new ATOM 1435 N GLY A 95 5.730 12.497 -5.370 1.00 0.00 N ATOM 1436 CA GLY A 95 4.805 13.451 -5.957 1.00 0.00 C ATOM 1437 C GLY A 95 3.373 12.912 -5.933 1.00 0.00 C ATOM 1438 O GLY A 95 3.090 11.868 -6.520 1.00 0.00 O ATOM 0 H GLY A 95 5.950 12.665 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.852 14.393 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.100 13.664 -6.984 1.00 0.00 H new ATOM 1442 N SER A 96 2.509 13.647 -5.249 1.00 0.00 N ATOM 1443 CA SER A 96 1.114 13.255 -5.142 1.00 0.00 C ATOM 1444 C SER A 96 0.424 13.401 -6.499 1.00 0.00 C ATOM 1445 O SER A 96 1.059 13.769 -7.487 1.00 0.00 O ATOM 1446 CB SER A 96 0.388 14.089 -4.085 1.00 0.00 C ATOM 1447 OG SER A 96 0.461 15.485 -4.362 1.00 0.00 O ATOM 0 H SER A 96 2.748 14.512 -4.763 1.00 0.00 H new ATOM 0 HA SER A 96 1.075 12.211 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.657 13.783 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.823 13.891 -3.105 1.00 0.00 H new ATOM 0 HG SER A 96 0.280 15.991 -3.542 1.00 0.00 H new ATOM 1453 N GLY A 97 -0.868 13.106 -6.505 1.00 0.00 N ATOM 1454 CA GLY A 97 -1.652 13.200 -7.725 1.00 0.00 C ATOM 1455 C GLY A 97 -2.554 14.435 -7.704 1.00 0.00 C ATOM 1456 O GLY A 97 -2.275 15.424 -8.380 1.00 0.00 O ATOM 0 H GLY A 97 -1.391 12.802 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.986 13.246 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.260 12.303 -7.840 1.00 0.00 H new ATOM 1460 N PRO A 98 -3.646 14.335 -6.899 1.00 0.00 N ATOM 1461 CA PRO A 98 -4.591 15.432 -6.781 1.00 0.00 C ATOM 1462 C PRO A 98 -4.017 16.560 -5.920 1.00 0.00 C ATOM 1463 O PRO A 98 -4.263 17.735 -6.186 1.00 0.00 O ATOM 1464 CB PRO A 98 -5.844 14.810 -6.186 1.00 0.00 C ATOM 1465 CG PRO A 98 -5.401 13.495 -5.565 1.00 0.00 C ATOM 1466 CD PRO A 98 -4.008 13.179 -6.085 1.00 0.00 C ATOM 0 HA PRO A 98 -4.812 15.901 -7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -6.288 15.466 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.600 14.645 -6.953 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -5.395 13.570 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -6.096 12.697 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -3.303 13.035 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -4.004 12.262 -6.675 1.00 0.00 H new ATOM 1474 N SER A 99 -3.264 16.161 -4.905 1.00 0.00 N ATOM 1475 CA SER A 99 -2.653 17.124 -4.004 1.00 0.00 C ATOM 1476 C SER A 99 -3.715 17.717 -3.075 1.00 0.00 C ATOM 1477 O SER A 99 -3.616 17.593 -1.855 1.00 0.00 O ATOM 1478 CB SER A 99 -1.947 18.236 -4.781 1.00 0.00 C ATOM 1479 OG SER A 99 -0.887 18.821 -4.031 1.00 0.00 O ATOM 0 H SER A 99 -3.063 15.185 -4.687 1.00 0.00 H new ATOM 0 HA SER A 99 -1.904 16.605 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.552 17.832 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.670 19.007 -5.049 1.00 0.00 H new ATOM 0 HG SER A 99 -0.460 19.525 -4.562 1.00 0.00 H new ATOM 1485 N SER A 100 -4.705 18.349 -3.688 1.00 0.00 N ATOM 1486 CA SER A 100 -5.783 18.962 -2.931 1.00 0.00 C ATOM 1487 C SER A 100 -6.756 19.663 -3.881 1.00 0.00 C ATOM 1488 O SER A 100 -6.398 19.991 -5.011 1.00 0.00 O ATOM 1489 CB SER A 100 -5.239 19.954 -1.901 1.00 0.00 C ATOM 1490 OG SER A 100 -4.456 20.978 -2.509 1.00 0.00 O ATOM 0 H SER A 100 -4.783 18.450 -4.700 1.00 0.00 H new ATOM 0 HA SER A 100 -6.313 18.176 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.070 20.406 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.633 19.421 -1.169 1.00 0.00 H new ATOM 0 HG SER A 100 -4.128 21.592 -1.819 1.00 0.00 H new ATOM 1496 N GLY A 101 -7.968 19.871 -3.387 1.00 0.00 N ATOM 1497 CA GLY A 101 -8.996 20.527 -4.178 1.00 0.00 C ATOM 1498 C GLY A 101 -10.330 19.787 -4.066 1.00 0.00 C ATOM 1499 O GLY A 101 -11.329 20.362 -3.636 1.00 0.00 O ATOM 0 H GLY A 101 -8.261 19.597 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.118 21.556 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.686 20.568 -5.222 1.00 0.00 H new TER 1503 GLY A 101