USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=25 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= -1.27 K(o=-3.4,f=-2.2) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.17 K(o=-3.4,f=-5.7!) USER MOD Set 2.1: A 80 MET CE :methyl -121:sc= -3.13! (180deg=-3.24!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.9! K(o=-6!,f=-2.7) USER MOD Set 3.1: A 55 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.6!) USER MOD Set 3.2: A 96 SER OG : rot -6:sc= 0.0683 USER MOD Set 4.1: A 20 THR OG1 : rot 180:sc= -0.292 USER MOD Set 4.2: A 89 GLN : amide:sc= 0 K(o=-0.29,f=-2.1!) 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 180:sc= 0 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=-0.0087) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.66) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.829! C(o=-0.83!,f=-0.84!) USER MOD Single : A 26 GLN : amide:sc= -2.85 K(o=-2.8,f=-6.8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -24:sc= 0.0643 USER MOD Single : A 35 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.039) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 171:sc= -1.5 (180deg=-1.71) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -1.22 (180deg=-3.38!) USER MOD Single : A 48 SER OG : rot 173:sc= -0.0441! USER MOD Single : A 52 ASN : amide:sc=-0.00988 X(o=-0.0099,f=-0.025) USER MOD Single : A 53 THR OG1 : rot 35:sc= 0.0305 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -25:sc= 0.929 USER MOD Single : A 63 ASN : amide:sc= -0.582 K(o=-0.58,f=-3.7!) USER MOD Single : A 67 SER OG : rot 2:sc= 0.528! USER MOD Single : A 69 ASN : amide:sc= -0.0048 X(o=-0.0048,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.06 K(o=1.1,f=-0.78) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 79 LYS NZ :NH3+ 138:sc= 0.128 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.396 K(o=-0.4,f=-1.8) USER MOD Single : A 90 MET CE :methyl -115:sc= -0.28 (180deg=-1.72!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 93 HIS : no HD1:sc= -0.118 X(o=-0.12,f=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 11.966 -33.966 -9.710 1.00 0.00 N ATOM 2 CA GLY A 1 10.558 -33.620 -9.814 1.00 0.00 C ATOM 3 C GLY A 1 10.075 -32.906 -8.550 1.00 0.00 C ATOM 4 O GLY A 1 10.488 -31.781 -8.271 1.00 0.00 O ATOM 0 H1 GLY A 1 12.270 -34.449 -10.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.528 -33.100 -9.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.109 -34.596 -8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.400 -32.979 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.969 -34.523 -9.974 1.00 0.00 H new ATOM 8 N SER A 2 9.206 -33.589 -7.818 1.00 0.00 N ATOM 9 CA SER A 2 8.662 -33.034 -6.591 1.00 0.00 C ATOM 10 C SER A 2 7.962 -31.705 -6.882 1.00 0.00 C ATOM 11 O SER A 2 8.583 -30.646 -6.818 1.00 0.00 O ATOM 12 CB SER A 2 9.758 -32.838 -5.542 1.00 0.00 C ATOM 13 OG SER A 2 9.291 -33.113 -4.224 1.00 0.00 O ATOM 0 H SER A 2 8.866 -34.522 -8.052 1.00 0.00 H new ATOM 0 HA SER A 2 7.935 -33.740 -6.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.600 -33.490 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.126 -31.813 -5.590 1.00 0.00 H new ATOM 0 HG SER A 2 10.021 -32.978 -3.584 1.00 0.00 H new ATOM 19 N SER A 3 6.679 -31.805 -7.196 1.00 0.00 N ATOM 20 CA SER A 3 5.888 -30.625 -7.497 1.00 0.00 C ATOM 21 C SER A 3 4.424 -31.015 -7.709 1.00 0.00 C ATOM 22 O SER A 3 4.127 -31.932 -8.474 1.00 0.00 O ATOM 23 CB SER A 3 6.428 -29.900 -8.731 1.00 0.00 C ATOM 24 OG SER A 3 5.950 -28.560 -8.816 1.00 0.00 O ATOM 0 H SER A 3 6.167 -32.686 -7.248 1.00 0.00 H new ATOM 0 HA SER A 3 5.956 -29.943 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.518 -29.895 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.137 -30.446 -9.628 1.00 0.00 H new ATOM 0 HG SER A 3 6.319 -28.131 -9.616 1.00 0.00 H new ATOM 30 N GLY A 4 3.547 -30.301 -7.018 1.00 0.00 N ATOM 31 CA GLY A 4 2.122 -30.562 -7.122 1.00 0.00 C ATOM 32 C GLY A 4 1.331 -29.679 -6.153 1.00 0.00 C ATOM 33 O GLY A 4 1.375 -28.453 -6.248 1.00 0.00 O ATOM 0 H GLY A 4 3.796 -29.542 -6.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.788 -30.377 -8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.924 -31.612 -6.907 1.00 0.00 H new ATOM 37 N SER A 5 0.628 -30.337 -5.244 1.00 0.00 N ATOM 38 CA SER A 5 -0.171 -29.627 -4.259 1.00 0.00 C ATOM 39 C SER A 5 0.381 -29.882 -2.855 1.00 0.00 C ATOM 40 O SER A 5 0.022 -30.867 -2.212 1.00 0.00 O ATOM 41 CB SER A 5 -1.640 -30.047 -4.335 1.00 0.00 C ATOM 42 OG SER A 5 -2.486 -28.966 -4.719 1.00 0.00 O ATOM 0 H SER A 5 0.595 -31.354 -5.168 1.00 0.00 H new ATOM 0 HA SER A 5 -0.114 -28.561 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.747 -30.863 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.958 -30.429 -3.365 1.00 0.00 H new ATOM 0 HG SER A 5 -3.415 -29.275 -4.758 1.00 0.00 H new ATOM 48 N SER A 6 1.245 -28.977 -2.420 1.00 0.00 N ATOM 49 CA SER A 6 1.851 -29.091 -1.105 1.00 0.00 C ATOM 50 C SER A 6 1.713 -27.768 -0.348 1.00 0.00 C ATOM 51 O SER A 6 1.149 -27.729 0.744 1.00 0.00 O ATOM 52 CB SER A 6 3.324 -29.492 -1.209 1.00 0.00 C ATOM 53 OG SER A 6 3.483 -30.809 -1.727 1.00 0.00 O ATOM 0 H SER A 6 1.540 -28.161 -2.956 1.00 0.00 H new ATOM 0 HA SER A 6 1.328 -29.873 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.848 -28.784 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.787 -29.432 -0.224 1.00 0.00 H new ATOM 0 HG SER A 6 4.437 -31.027 -1.780 1.00 0.00 H new ATOM 59 N GLY A 7 2.237 -26.716 -0.960 1.00 0.00 N ATOM 60 CA GLY A 7 2.180 -25.395 -0.358 1.00 0.00 C ATOM 61 C GLY A 7 0.827 -25.158 0.316 1.00 0.00 C ATOM 62 O GLY A 7 -0.158 -24.846 -0.352 1.00 0.00 O ATOM 0 H GLY A 7 2.703 -26.752 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.979 -25.291 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.348 -24.636 -1.122 1.00 0.00 H new ATOM 66 N PRO A 8 0.822 -25.319 1.667 1.00 0.00 N ATOM 67 CA PRO A 8 -0.394 -25.126 2.439 1.00 0.00 C ATOM 68 C PRO A 8 -0.723 -23.639 2.580 1.00 0.00 C ATOM 69 O PRO A 8 0.159 -22.790 2.465 1.00 0.00 O ATOM 70 CB PRO A 8 -0.125 -25.804 3.772 1.00 0.00 C ATOM 71 CG PRO A 8 1.385 -25.945 3.871 1.00 0.00 C ATOM 72 CD PRO A 8 1.969 -25.688 2.491 1.00 0.00 C ATOM 0 HA PRO A 8 -1.271 -25.558 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.517 -25.210 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.612 -26.778 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.788 -25.236 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.653 -26.942 4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.711 -24.890 2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.468 -26.575 2.101 1.00 0.00 H new ATOM 80 N HIS A 9 -1.997 -23.368 2.827 1.00 0.00 N ATOM 81 CA HIS A 9 -2.454 -21.998 2.986 1.00 0.00 C ATOM 82 C HIS A 9 -2.663 -21.695 4.471 1.00 0.00 C ATOM 83 O HIS A 9 -2.751 -22.610 5.288 1.00 0.00 O ATOM 84 CB HIS A 9 -3.707 -21.743 2.146 1.00 0.00 C ATOM 85 CG HIS A 9 -3.429 -21.517 0.680 1.00 0.00 C ATOM 86 ND1 HIS A 9 -2.899 -22.497 -0.142 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.613 -20.416 -0.103 1.00 0.00 C ATOM 88 CE1 HIS A 9 -2.774 -21.996 -1.363 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.216 -20.706 -1.336 1.00 0.00 N ATOM 0 H HIS A 9 -2.727 -24.074 2.921 1.00 0.00 H new ATOM 0 HA HIS A 9 -1.693 -21.311 2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.381 -22.593 2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.228 -20.873 2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.014 -19.468 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.390 -22.518 -2.227 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.238 -20.069 -2.132 1.00 0.00 H new ATOM 97 N SER A 10 -2.735 -20.408 4.774 1.00 0.00 N ATOM 98 CA SER A 10 -2.932 -19.972 6.147 1.00 0.00 C ATOM 99 C SER A 10 -3.545 -18.571 6.168 1.00 0.00 C ATOM 100 O SER A 10 -3.019 -17.650 5.546 1.00 0.00 O ATOM 101 CB SER A 10 -1.614 -19.987 6.924 1.00 0.00 C ATOM 102 OG SER A 10 -1.750 -20.618 8.194 1.00 0.00 O ATOM 0 H SER A 10 -2.661 -19.652 4.093 1.00 0.00 H new ATOM 0 HA SER A 10 -3.616 -20.668 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.855 -20.507 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.264 -18.964 7.063 1.00 0.00 H new ATOM 0 HG SER A 10 -0.887 -20.609 8.658 1.00 0.00 H new ATOM 108 N MET A 11 -4.649 -18.453 6.892 1.00 0.00 N ATOM 109 CA MET A 11 -5.339 -17.180 7.003 1.00 0.00 C ATOM 110 C MET A 11 -4.685 -16.292 8.064 1.00 0.00 C ATOM 111 O MET A 11 -4.180 -16.790 9.069 1.00 0.00 O ATOM 112 CB MET A 11 -6.803 -17.423 7.373 1.00 0.00 C ATOM 113 CG MET A 11 -7.731 -17.049 6.215 1.00 0.00 C ATOM 114 SD MET A 11 -9.428 -17.051 6.768 1.00 0.00 S ATOM 115 CE MET A 11 -10.256 -17.395 5.224 1.00 0.00 C ATOM 0 H MET A 11 -5.082 -19.219 7.408 1.00 0.00 H new ATOM 0 HA MET A 11 -5.278 -16.670 6.041 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.946 -18.471 7.635 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.061 -16.836 8.255 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.467 -16.064 5.830 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.606 -17.756 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.333 -17.431 5.389 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.025 -16.609 4.505 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.916 -18.355 4.835 1.00 0.00 H new ATOM 125 N GLU A 12 -4.715 -14.993 7.804 1.00 0.00 N ATOM 126 CA GLU A 12 -4.131 -14.032 8.723 1.00 0.00 C ATOM 127 C GLU A 12 -4.201 -12.622 8.133 1.00 0.00 C ATOM 128 O GLU A 12 -4.149 -12.452 6.916 1.00 0.00 O ATOM 129 CB GLU A 12 -2.690 -14.410 9.070 1.00 0.00 C ATOM 130 CG GLU A 12 -2.560 -14.775 10.550 1.00 0.00 C ATOM 131 CD GLU A 12 -1.379 -15.720 10.780 1.00 0.00 C ATOM 132 OE1 GLU A 12 -0.351 -15.521 10.097 1.00 0.00 O ATOM 133 OE2 GLU A 12 -1.530 -16.621 11.633 1.00 0.00 O ATOM 0 H GLU A 12 -5.135 -14.584 6.969 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.708 -14.047 9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.373 -15.252 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.026 -13.578 8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.426 -13.869 11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.480 -15.247 10.894 1.00 0.00 H new ATOM 140 N PRO A 13 -4.321 -11.622 9.046 1.00 0.00 N ATOM 141 CA PRO A 13 -4.399 -10.232 8.629 1.00 0.00 C ATOM 142 C PRO A 13 -3.028 -9.714 8.190 1.00 0.00 C ATOM 143 O PRO A 13 -2.906 -9.077 7.144 1.00 0.00 O ATOM 144 CB PRO A 13 -4.957 -9.490 9.832 1.00 0.00 C ATOM 145 CG PRO A 13 -4.735 -10.405 11.026 1.00 0.00 C ATOM 146 CD PRO A 13 -4.386 -11.786 10.496 1.00 0.00 C ATOM 0 HA PRO A 13 -5.040 -10.090 7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.450 -8.535 9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.017 -9.271 9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.931 -10.023 11.655 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.631 -10.449 11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.435 -12.136 10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.140 -12.521 10.778 1.00 0.00 H new ATOM 154 N GLN A 14 -2.030 -10.006 9.011 1.00 0.00 N ATOM 155 CA GLN A 14 -0.672 -9.578 8.721 1.00 0.00 C ATOM 156 C GLN A 14 -0.395 -9.673 7.219 1.00 0.00 C ATOM 157 O GLN A 14 -0.143 -10.759 6.698 1.00 0.00 O ATOM 158 CB GLN A 14 0.344 -10.398 9.519 1.00 0.00 C ATOM 159 CG GLN A 14 0.204 -10.134 11.019 1.00 0.00 C ATOM 160 CD GLN A 14 1.213 -10.960 11.818 1.00 0.00 C ATOM 161 OE1 GLN A 14 2.042 -10.440 12.547 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.099 -12.273 11.640 1.00 0.00 N ATOM 0 H GLN A 14 -2.135 -10.534 9.877 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.567 -8.536 9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.199 -11.459 9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.354 -10.148 9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.356 -9.074 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.808 -10.378 11.342 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.383 -12.643 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.728 -12.910 12.128 1.00 0.00 H new ATOM 171 N VAL A 15 -0.451 -8.522 6.565 1.00 0.00 N ATOM 172 CA VAL A 15 -0.209 -8.462 5.133 1.00 0.00 C ATOM 173 C VAL A 15 1.176 -7.862 4.879 1.00 0.00 C ATOM 174 O VAL A 15 1.623 -6.989 5.620 1.00 0.00 O ATOM 175 CB VAL A 15 -1.333 -7.686 4.445 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.865 -7.118 3.103 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.575 -8.561 4.267 1.00 0.00 C ATOM 0 H VAL A 15 -0.660 -7.624 7.000 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.213 -9.463 4.702 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.604 -6.848 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.683 -6.571 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.024 -6.444 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.554 -7.934 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.359 -7.985 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.325 -9.428 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.928 -8.895 5.243 1.00 0.00 H new ATOM 187 N THR A 16 1.815 -8.355 3.829 1.00 0.00 N ATOM 188 CA THR A 16 3.139 -7.878 3.467 1.00 0.00 C ATOM 189 C THR A 16 3.046 -6.846 2.342 1.00 0.00 C ATOM 190 O THR A 16 2.749 -7.193 1.200 1.00 0.00 O ATOM 191 CB THR A 16 3.997 -9.093 3.108 1.00 0.00 C ATOM 192 OG1 THR A 16 3.926 -9.923 4.264 1.00 0.00 O ATOM 193 CG2 THR A 16 5.483 -8.746 2.989 1.00 0.00 C ATOM 0 H THR A 16 1.441 -9.080 3.217 1.00 0.00 H new ATOM 0 HA THR A 16 3.614 -7.361 4.300 1.00 0.00 H new ATOM 0 HB THR A 16 3.647 -9.519 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.454 -10.735 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.047 -9.643 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.620 -7.996 2.210 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.842 -8.351 3.940 1.00 0.00 H new ATOM 201 N LEU A 17 3.305 -5.598 2.704 1.00 0.00 N ATOM 202 CA LEU A 17 3.254 -4.513 1.739 1.00 0.00 C ATOM 203 C LEU A 17 4.652 -4.281 1.164 1.00 0.00 C ATOM 204 O LEU A 17 5.484 -3.625 1.789 1.00 0.00 O ATOM 205 CB LEU A 17 2.633 -3.265 2.369 1.00 0.00 C ATOM 206 CG LEU A 17 1.173 -3.390 2.808 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.702 -2.118 3.515 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.274 -3.755 1.625 1.00 0.00 C ATOM 0 H LEU A 17 3.551 -5.314 3.652 1.00 0.00 H new ATOM 0 HA LEU A 17 2.606 -4.777 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.230 -2.985 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.708 -2.446 1.654 1.00 0.00 H new ATOM 0 HG LEU A 17 1.102 -4.204 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.339 -2.234 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.318 -1.943 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.791 -1.270 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.758 -3.838 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.344 -2.980 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.595 -4.708 1.205 1.00 0.00 H new ATOM 220 N ASN A 18 4.869 -4.833 -0.021 1.00 0.00 N ATOM 221 CA ASN A 18 6.153 -4.695 -0.687 1.00 0.00 C ATOM 222 C ASN A 18 6.193 -3.361 -1.437 1.00 0.00 C ATOM 223 O ASN A 18 5.634 -3.240 -2.526 1.00 0.00 O ATOM 224 CB ASN A 18 6.369 -5.816 -1.706 1.00 0.00 C ATOM 225 CG ASN A 18 6.039 -7.180 -1.097 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.814 -7.762 -0.356 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.848 -7.656 -1.450 1.00 0.00 N ATOM 0 H ASN A 18 4.177 -5.377 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 18 6.933 -4.743 0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.742 -5.643 -2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.404 -5.807 -2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.535 -8.560 -1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.248 -7.117 -2.074 1.00 0.00 H new ATOM 234 N VAL A 19 6.859 -2.394 -0.823 1.00 0.00 N ATOM 235 CA VAL A 19 6.979 -1.074 -1.419 1.00 0.00 C ATOM 236 C VAL A 19 8.300 -0.983 -2.185 1.00 0.00 C ATOM 237 O VAL A 19 9.374 -1.041 -1.588 1.00 0.00 O ATOM 238 CB VAL A 19 6.839 0.001 -0.339 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.065 1.397 -0.924 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.477 -0.090 0.352 1.00 0.00 C ATOM 0 H VAL A 19 7.321 -2.498 0.080 1.00 0.00 H new ATOM 0 HA VAL A 19 6.176 -0.904 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 19 7.608 -0.176 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.960 2.143 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.067 1.456 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.329 1.588 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.404 0.685 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.685 0.049 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.370 -1.069 0.818 1.00 0.00 H new ATOM 250 N THR A 20 8.178 -0.843 -3.497 1.00 0.00 N ATOM 251 CA THR A 20 9.348 -0.744 -4.352 1.00 0.00 C ATOM 252 C THR A 20 9.521 0.691 -4.855 1.00 0.00 C ATOM 253 O THR A 20 8.890 1.090 -5.832 1.00 0.00 O ATOM 254 CB THR A 20 9.200 -1.769 -5.478 1.00 0.00 C ATOM 255 OG1 THR A 20 9.753 -2.964 -4.933 1.00 0.00 O ATOM 256 CG2 THR A 20 10.098 -1.456 -6.677 1.00 0.00 C ATOM 0 H THR A 20 7.286 -0.796 -3.989 1.00 0.00 H new ATOM 0 HA THR A 20 10.260 -0.975 -3.802 1.00 0.00 H new ATOM 0 HB THR A 20 8.160 -1.804 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.697 -3.683 -5.597 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.954 -2.214 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.840 -0.476 -7.079 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.141 -1.454 -6.360 1.00 0.00 H new ATOM 264 N PHE A 21 10.380 1.427 -4.165 1.00 0.00 N ATOM 265 CA PHE A 21 10.644 2.808 -4.529 1.00 0.00 C ATOM 266 C PHE A 21 11.790 2.900 -5.538 1.00 0.00 C ATOM 267 O PHE A 21 12.956 2.756 -5.173 1.00 0.00 O ATOM 268 CB PHE A 21 11.048 3.540 -3.248 1.00 0.00 C ATOM 269 CG PHE A 21 11.363 5.023 -3.451 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.739 5.722 -4.437 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.267 5.643 -2.646 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.032 7.098 -4.626 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.559 7.020 -2.834 1.00 0.00 C ATOM 274 CZ PHE A 21 11.935 7.718 -3.820 1.00 0.00 C ATOM 0 H PHE A 21 10.902 1.092 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 21 9.757 3.248 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.243 3.447 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.922 3.049 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.021 5.230 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.763 5.088 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.538 7.653 -5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.276 7.512 -2.194 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.157 8.765 -3.963 1.00 0.00 H new ATOM 284 N LYS A 22 11.420 3.138 -6.787 1.00 0.00 N ATOM 285 CA LYS A 22 12.402 3.251 -7.851 1.00 0.00 C ATOM 286 C LYS A 22 13.126 1.913 -8.014 1.00 0.00 C ATOM 287 O LYS A 22 12.643 1.022 -8.711 1.00 0.00 O ATOM 288 CB LYS A 22 13.341 4.430 -7.591 1.00 0.00 C ATOM 289 CG LYS A 22 12.714 5.744 -8.060 1.00 0.00 C ATOM 290 CD LYS A 22 13.651 6.925 -7.795 1.00 0.00 C ATOM 291 CE LYS A 22 13.288 7.629 -6.486 1.00 0.00 C ATOM 292 NZ LYS A 22 14.376 8.542 -6.069 1.00 0.00 N ATOM 0 H LYS A 22 10.452 3.256 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 22 11.912 3.467 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.568 4.491 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.286 4.268 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.491 5.685 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.767 5.904 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.682 6.573 -7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.592 7.633 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.363 8.191 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.107 6.889 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.113 9.012 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.251 7.998 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.529 9.259 -6.807 1.00 0.00 H new ATOM 306 N ASN A 23 14.274 1.814 -7.360 1.00 0.00 N ATOM 307 CA ASN A 23 15.070 0.599 -7.424 1.00 0.00 C ATOM 308 C ASN A 23 15.157 -0.021 -6.028 1.00 0.00 C ATOM 309 O ASN A 23 15.733 -1.095 -5.857 1.00 0.00 O ATOM 310 CB ASN A 23 16.493 0.898 -7.899 1.00 0.00 C ATOM 311 CG ASN A 23 17.402 -0.318 -7.704 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.303 -1.317 -8.398 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.290 -0.178 -6.725 1.00 0.00 N ATOM 0 H ASN A 23 14.672 2.555 -6.783 1.00 0.00 H new ATOM 0 HA ASN A 23 14.591 -0.082 -8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.477 1.180 -8.952 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.894 1.748 -7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.942 -0.934 -6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.319 0.685 -6.182 1.00 0.00 H new ATOM 320 N GLU A 24 14.578 0.681 -5.065 1.00 0.00 N ATOM 321 CA GLU A 24 14.584 0.212 -3.690 1.00 0.00 C ATOM 322 C GLU A 24 13.371 -0.683 -3.429 1.00 0.00 C ATOM 323 O GLU A 24 12.359 -0.581 -4.122 1.00 0.00 O ATOM 324 CB GLU A 24 14.618 1.387 -2.710 1.00 0.00 C ATOM 325 CG GLU A 24 16.023 1.988 -2.625 1.00 0.00 C ATOM 326 CD GLU A 24 16.384 2.725 -3.916 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.646 3.677 -4.252 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.389 2.320 -4.539 1.00 0.00 O ATOM 0 H GLU A 24 14.102 1.571 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 24 15.487 -0.377 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.910 2.152 -3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.302 1.051 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.077 2.677 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.750 1.197 -2.438 1.00 0.00 H new ATOM 335 N ILE A 25 13.512 -1.540 -2.429 1.00 0.00 N ATOM 336 CA ILE A 25 12.440 -2.453 -2.068 1.00 0.00 C ATOM 337 C ILE A 25 12.240 -2.424 -0.552 1.00 0.00 C ATOM 338 O ILE A 25 13.202 -2.528 0.207 1.00 0.00 O ATOM 339 CB ILE A 25 12.717 -3.851 -2.625 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.534 -3.882 -4.144 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.856 -4.902 -1.922 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.707 -4.592 -4.823 1.00 0.00 C ATOM 0 H ILE A 25 14.352 -1.622 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 25 11.500 -2.135 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 25 13.758 -4.100 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.603 -4.392 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.451 -2.864 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.073 -5.886 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.079 -4.901 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.802 -4.669 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.552 -4.600 -5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.633 -4.065 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.772 -5.617 -4.458 1.00 0.00 H new ATOM 354 N GLN A 26 10.984 -2.280 -0.156 1.00 0.00 N ATOM 355 CA GLN A 26 10.645 -2.236 1.256 1.00 0.00 C ATOM 356 C GLN A 26 9.456 -3.155 1.546 1.00 0.00 C ATOM 357 O GLN A 26 8.737 -3.553 0.631 1.00 0.00 O ATOM 358 CB GLN A 26 10.352 -0.803 1.705 1.00 0.00 C ATOM 359 CG GLN A 26 10.989 -0.513 3.066 1.00 0.00 C ATOM 360 CD GLN A 26 12.514 -0.459 2.956 1.00 0.00 C ATOM 361 OE1 GLN A 26 13.128 -1.127 2.140 1.00 0.00 O ATOM 362 NE2 GLN A 26 13.090 0.371 3.822 1.00 0.00 N ATOM 0 H GLN A 26 10.189 -2.192 -0.789 1.00 0.00 H new ATOM 0 HA GLN A 26 11.503 -2.593 1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.734 -0.101 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.274 -0.650 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.615 0.435 3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.699 -1.285 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.517 0.901 4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.104 0.477 3.829 1.00 0.00 H new ATOM 371 N SER A 27 9.286 -3.464 2.823 1.00 0.00 N ATOM 372 CA SER A 27 8.197 -4.329 3.245 1.00 0.00 C ATOM 373 C SER A 27 7.620 -3.834 4.572 1.00 0.00 C ATOM 374 O SER A 27 8.366 -3.497 5.491 1.00 0.00 O ATOM 375 CB SER A 27 8.665 -5.780 3.378 1.00 0.00 C ATOM 376 OG SER A 27 7.777 -6.556 4.177 1.00 0.00 O ATOM 0 H SER A 27 9.884 -3.131 3.579 1.00 0.00 H new ATOM 0 HA SER A 27 7.419 -4.295 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.746 -6.227 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.662 -5.801 3.819 1.00 0.00 H new ATOM 0 HG SER A 27 8.110 -7.476 4.236 1.00 0.00 H new ATOM 382 N PHE A 28 6.296 -3.804 4.631 1.00 0.00 N ATOM 383 CA PHE A 28 5.611 -3.356 5.831 1.00 0.00 C ATOM 384 C PHE A 28 4.475 -4.311 6.203 1.00 0.00 C ATOM 385 O PHE A 28 3.487 -4.418 5.478 1.00 0.00 O ATOM 386 CB PHE A 28 5.022 -1.978 5.521 1.00 0.00 C ATOM 387 CG PHE A 28 6.058 -0.945 5.074 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.830 -0.313 5.998 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.206 -0.658 3.753 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.792 0.646 5.583 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.167 0.301 3.338 1.00 0.00 C ATOM 392 CZ PHE A 28 7.940 0.933 4.262 1.00 0.00 C ATOM 0 H PHE A 28 5.680 -4.083 3.867 1.00 0.00 H new ATOM 0 HA PHE A 28 6.309 -3.322 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.269 -2.083 4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.511 -1.605 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.712 -0.540 7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.592 -1.160 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.406 1.147 6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.284 0.529 2.289 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.671 1.663 3.946 1.00 0.00 H new ATOM 402 N LEU A 29 4.653 -4.981 7.332 1.00 0.00 N ATOM 403 CA LEU A 29 3.656 -5.924 7.809 1.00 0.00 C ATOM 404 C LEU A 29 2.498 -5.154 8.449 1.00 0.00 C ATOM 405 O LEU A 29 2.719 -4.230 9.230 1.00 0.00 O ATOM 406 CB LEU A 29 4.296 -6.957 8.738 1.00 0.00 C ATOM 407 CG LEU A 29 3.461 -8.205 9.029 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.511 -9.185 7.855 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.895 -8.862 10.342 1.00 0.00 C ATOM 0 H LEU A 29 5.474 -4.889 7.931 1.00 0.00 H new ATOM 0 HA LEU A 29 3.241 -6.493 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.244 -7.272 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.528 -6.470 9.685 1.00 0.00 H new ATOM 0 HG LEU A 29 2.422 -7.899 9.149 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.909 -10.063 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.117 -8.702 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.543 -9.489 7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.285 -9.747 10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.944 -9.151 10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.765 -8.156 11.162 1.00 0.00 H new ATOM 421 N VAL A 30 1.290 -5.565 8.095 1.00 0.00 N ATOM 422 CA VAL A 30 0.097 -4.926 8.625 1.00 0.00 C ATOM 423 C VAL A 30 -0.785 -5.980 9.298 1.00 0.00 C ATOM 424 O VAL A 30 -1.573 -6.651 8.633 1.00 0.00 O ATOM 425 CB VAL A 30 -0.626 -4.163 7.513 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.519 -3.064 8.094 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.371 -3.584 6.507 1.00 0.00 C ATOM 0 H VAL A 30 1.111 -6.333 7.448 1.00 0.00 H new ATOM 0 HA VAL A 30 0.363 -4.191 9.385 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.265 -4.869 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.021 -2.537 7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.264 -3.511 8.753 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.909 -2.361 8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.169 -3.047 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.047 -2.899 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.946 -4.394 6.058 1.00 0.00 H new ATOM 437 N SER A 31 -0.622 -6.093 10.608 1.00 0.00 N ATOM 438 CA SER A 31 -1.393 -7.054 11.378 1.00 0.00 C ATOM 439 C SER A 31 -2.860 -6.623 11.432 1.00 0.00 C ATOM 440 O SER A 31 -3.731 -7.416 11.789 1.00 0.00 O ATOM 441 CB SER A 31 -0.831 -7.204 12.793 1.00 0.00 C ATOM 442 OG SER A 31 -1.497 -8.229 13.526 1.00 0.00 O ATOM 0 H SER A 31 0.033 -5.535 11.156 1.00 0.00 H new ATOM 0 HA SER A 31 -1.323 -8.023 10.885 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.234 -7.431 12.738 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.928 -6.257 13.324 1.00 0.00 H new ATOM 0 HG SER A 31 -2.392 -8.370 13.152 1.00 0.00 H new ATOM 448 N ASP A 32 -3.089 -5.368 11.074 1.00 0.00 N ATOM 449 CA ASP A 32 -4.436 -4.823 11.079 1.00 0.00 C ATOM 450 C ASP A 32 -4.614 -3.905 9.867 1.00 0.00 C ATOM 451 O ASP A 32 -4.699 -2.687 10.014 1.00 0.00 O ATOM 452 CB ASP A 32 -4.692 -3.996 12.340 1.00 0.00 C ATOM 453 CG ASP A 32 -3.993 -4.507 13.601 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.761 -4.705 13.527 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.707 -4.689 14.611 1.00 0.00 O ATOM 0 H ASP A 32 -2.365 -4.713 10.779 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.137 -5.657 11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.371 -2.971 12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.766 -3.966 12.525 1.00 0.00 H new ATOM 460 N PRO A 33 -4.666 -4.542 8.667 1.00 0.00 N ATOM 461 CA PRO A 33 -4.832 -3.796 7.431 1.00 0.00 C ATOM 462 C PRO A 33 -6.274 -3.309 7.274 1.00 0.00 C ATOM 463 O PRO A 33 -6.579 -2.545 6.359 1.00 0.00 O ATOM 464 CB PRO A 33 -4.407 -4.756 6.332 1.00 0.00 C ATOM 465 CG PRO A 33 -4.463 -6.145 6.947 1.00 0.00 C ATOM 466 CD PRO A 33 -4.569 -5.983 8.455 1.00 0.00 C ATOM 0 HA PRO A 33 -4.230 -2.888 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.072 -4.683 5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.402 -4.525 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.319 -6.699 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.571 -6.714 6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.444 -6.501 8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.698 -6.400 8.960 1.00 0.00 H new ATOM 474 N GLU A 34 -7.122 -3.770 8.181 1.00 0.00 N ATOM 475 CA GLU A 34 -8.525 -3.390 8.155 1.00 0.00 C ATOM 476 C GLU A 34 -8.771 -2.204 9.089 1.00 0.00 C ATOM 477 O GLU A 34 -9.465 -1.256 8.725 1.00 0.00 O ATOM 478 CB GLU A 34 -9.420 -4.574 8.524 1.00 0.00 C ATOM 479 CG GLU A 34 -9.971 -5.257 7.271 1.00 0.00 C ATOM 480 CD GLU A 34 -11.453 -5.601 7.440 1.00 0.00 C ATOM 481 OE1 GLU A 34 -12.258 -4.644 7.465 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.747 -6.811 7.542 1.00 0.00 O ATOM 0 H GLU A 34 -6.865 -4.403 8.939 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.781 -3.086 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.852 -5.293 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.245 -4.230 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.842 -4.602 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.404 -6.166 7.069 1.00 0.00 H new ATOM 489 N ASN A 35 -8.188 -2.295 10.275 1.00 0.00 N ATOM 490 CA ASN A 35 -8.336 -1.241 11.264 1.00 0.00 C ATOM 491 C ASN A 35 -7.552 -0.008 10.810 1.00 0.00 C ATOM 492 O ASN A 35 -8.106 1.087 10.721 1.00 0.00 O ATOM 493 CB ASN A 35 -7.783 -1.678 12.622 1.00 0.00 C ATOM 494 CG ASN A 35 -8.917 -2.013 13.594 1.00 0.00 C ATOM 495 OD1 ASN A 35 -9.005 -3.104 14.133 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.777 -1.017 13.785 1.00 0.00 N ATOM 0 H ASN A 35 -7.612 -3.082 10.573 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.398 -1.018 11.362 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.140 -2.549 12.494 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.164 -0.884 13.039 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.570 -1.141 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.644 -0.129 13.302 1.00 0.00 H new ATOM 503 N THR A 36 -6.275 -0.226 10.534 1.00 0.00 N ATOM 504 CA THR A 36 -5.409 0.853 10.091 1.00 0.00 C ATOM 505 C THR A 36 -6.045 1.598 8.916 1.00 0.00 C ATOM 506 O THR A 36 -7.007 1.117 8.319 1.00 0.00 O ATOM 507 CB THR A 36 -4.039 0.257 9.763 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.132 1.338 9.965 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.889 -0.084 8.279 1.00 0.00 C ATOM 0 H THR A 36 -5.819 -1.135 10.609 1.00 0.00 H new ATOM 0 HA THR A 36 -5.275 1.599 10.874 1.00 0.00 H new ATOM 0 HB THR A 36 -3.882 -0.642 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.218 1.038 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.899 -0.504 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.648 -0.812 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.013 0.821 7.684 1.00 0.00 H new ATOM 517 N THR A 37 -5.481 2.760 8.619 1.00 0.00 N ATOM 518 CA THR A 37 -5.981 3.576 7.525 1.00 0.00 C ATOM 519 C THR A 37 -4.899 3.761 6.460 1.00 0.00 C ATOM 520 O THR A 37 -3.708 3.731 6.768 1.00 0.00 O ATOM 521 CB THR A 37 -6.487 4.895 8.113 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.346 5.446 8.764 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.496 4.684 9.244 1.00 0.00 C ATOM 0 H THR A 37 -4.683 3.156 9.116 1.00 0.00 H new ATOM 0 HA THR A 37 -6.813 3.089 7.016 1.00 0.00 H new ATOM 0 HB THR A 37 -6.946 5.491 7.324 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.585 6.305 9.172 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.823 5.651 9.625 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.357 4.134 8.865 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.028 4.116 10.048 1.00 0.00 H new ATOM 531 N TRP A 38 -5.351 3.948 5.229 1.00 0.00 N ATOM 532 CA TRP A 38 -4.436 4.138 4.116 1.00 0.00 C ATOM 533 C TRP A 38 -3.521 5.318 4.452 1.00 0.00 C ATOM 534 O TRP A 38 -2.334 5.299 4.129 1.00 0.00 O ATOM 535 CB TRP A 38 -5.200 4.329 2.804 1.00 0.00 C ATOM 536 CG TRP A 38 -4.333 4.827 1.646 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.508 5.925 0.898 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.141 4.197 1.132 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.520 6.048 -0.058 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.662 4.964 0.089 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.488 3.019 1.534 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.511 4.637 -0.638 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.340 2.706 0.798 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.845 3.467 -0.255 1.00 0.00 C ATOM 0 H TRP A 38 -6.339 3.972 4.977 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.820 3.251 3.968 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.657 3.381 2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.011 5.038 2.968 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.320 6.625 1.027 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.435 6.796 -0.746 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.844 2.404 2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.156 5.254 -1.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.800 1.810 1.067 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.049 3.157 -0.775 1.00 0.00 H new ATOM 555 N ALA A 39 -4.108 6.316 5.096 1.00 0.00 N ATOM 556 CA ALA A 39 -3.361 7.502 5.479 1.00 0.00 C ATOM 557 C ALA A 39 -2.199 7.095 6.388 1.00 0.00 C ATOM 558 O ALA A 39 -1.115 7.672 6.311 1.00 0.00 O ATOM 559 CB ALA A 39 -4.302 8.504 6.150 1.00 0.00 C ATOM 0 H ALA A 39 -5.093 6.328 5.362 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.938 7.990 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.741 9.394 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.093 8.783 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.743 8.051 7.038 1.00 0.00 H new ATOM 565 N ASP A 40 -2.464 6.105 7.227 1.00 0.00 N ATOM 566 CA ASP A 40 -1.454 5.615 8.150 1.00 0.00 C ATOM 567 C ASP A 40 -0.343 4.920 7.360 1.00 0.00 C ATOM 568 O ASP A 40 0.807 4.887 7.796 1.00 0.00 O ATOM 569 CB ASP A 40 -2.047 4.598 9.127 1.00 0.00 C ATOM 570 CG ASP A 40 -2.176 5.088 10.570 1.00 0.00 C ATOM 571 OD1 ASP A 40 -1.748 6.235 10.821 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.700 4.304 11.391 1.00 0.00 O ATOM 0 H ASP A 40 -3.364 5.628 7.287 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.066 6.467 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.034 4.305 8.769 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.426 3.702 9.117 1.00 0.00 H new ATOM 577 N ILE A 41 -0.725 4.381 6.211 1.00 0.00 N ATOM 578 CA ILE A 41 0.224 3.689 5.357 1.00 0.00 C ATOM 579 C ILE A 41 1.019 4.716 4.548 1.00 0.00 C ATOM 580 O ILE A 41 2.238 4.807 4.681 1.00 0.00 O ATOM 581 CB ILE A 41 -0.492 2.647 4.494 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.470 1.821 5.332 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.514 1.766 3.751 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.722 0.864 6.263 1.00 0.00 C ATOM 0 H ILE A 41 -1.679 4.410 5.852 1.00 0.00 H new ATOM 0 HA ILE A 41 0.942 3.132 5.959 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.078 3.172 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.102 2.486 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.129 1.254 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.021 1.034 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.135 2.387 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.146 1.248 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.440 0.289 6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.109 0.184 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.083 1.436 6.935 1.00 0.00 H new ATOM 596 N GLU A 42 0.296 5.463 3.726 1.00 0.00 N ATOM 597 CA GLU A 42 0.918 6.479 2.896 1.00 0.00 C ATOM 598 C GLU A 42 2.051 7.168 3.660 1.00 0.00 C ATOM 599 O GLU A 42 3.171 7.265 3.161 1.00 0.00 O ATOM 600 CB GLU A 42 -0.115 7.498 2.410 1.00 0.00 C ATOM 601 CG GLU A 42 0.349 8.176 1.119 1.00 0.00 C ATOM 602 CD GLU A 42 -0.764 8.176 0.069 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.804 8.812 0.344 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.550 7.538 -0.984 1.00 0.00 O ATOM 0 H GLU A 42 -0.715 5.384 3.618 1.00 0.00 H new ATOM 0 HA GLU A 42 1.342 5.993 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.070 7.001 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.280 8.250 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.653 9.201 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.224 7.658 0.726 1.00 0.00 H new ATOM 611 N ALA A 43 1.720 7.629 4.857 1.00 0.00 N ATOM 612 CA ALA A 43 2.695 8.306 5.694 1.00 0.00 C ATOM 613 C ALA A 43 3.836 7.341 6.024 1.00 0.00 C ATOM 614 O ALA A 43 5.001 7.641 5.771 1.00 0.00 O ATOM 615 CB ALA A 43 2.006 8.844 6.949 1.00 0.00 C ATOM 0 H ALA A 43 0.790 7.547 5.267 1.00 0.00 H new ATOM 0 HA ALA A 43 3.125 9.158 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.738 9.352 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.224 9.547 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.564 8.017 7.504 1.00 0.00 H new ATOM 621 N MET A 44 3.460 6.200 6.583 1.00 0.00 N ATOM 622 CA MET A 44 4.436 5.189 6.950 1.00 0.00 C ATOM 623 C MET A 44 5.548 5.095 5.903 1.00 0.00 C ATOM 624 O MET A 44 6.708 5.378 6.198 1.00 0.00 O ATOM 625 CB MET A 44 3.742 3.832 7.080 1.00 0.00 C ATOM 626 CG MET A 44 4.574 2.869 7.929 1.00 0.00 C ATOM 627 SD MET A 44 3.522 1.613 8.637 1.00 0.00 S ATOM 628 CE MET A 44 2.745 0.988 7.157 1.00 0.00 C ATOM 0 H MET A 44 2.492 5.954 6.791 1.00 0.00 H new ATOM 0 HA MET A 44 4.883 5.471 7.903 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.759 3.964 7.532 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.583 3.405 6.090 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.346 2.405 7.315 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.083 3.417 8.721 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.175 0.090 7.397 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.075 1.745 6.750 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.510 0.746 6.419 1.00 0.00 H new ATOM 638 N VAL A 45 5.155 4.697 4.703 1.00 0.00 N ATOM 639 CA VAL A 45 6.103 4.562 3.610 1.00 0.00 C ATOM 640 C VAL A 45 6.844 5.887 3.418 1.00 0.00 C ATOM 641 O VAL A 45 8.061 5.902 3.241 1.00 0.00 O ATOM 642 CB VAL A 45 5.383 4.091 2.346 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.351 4.002 1.164 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.680 2.753 2.582 1.00 0.00 C ATOM 0 H VAL A 45 4.192 4.463 4.463 1.00 0.00 H new ATOM 0 HA VAL A 45 6.849 3.802 3.843 1.00 0.00 H new ATOM 0 HB VAL A 45 4.621 4.830 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.813 3.665 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.784 4.984 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.146 3.294 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.176 2.441 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.416 2.001 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.947 2.863 3.381 1.00 0.00 H new ATOM 654 N LYS A 46 6.078 6.968 3.459 1.00 0.00 N ATOM 655 CA LYS A 46 6.647 8.295 3.292 1.00 0.00 C ATOM 656 C LYS A 46 7.833 8.461 4.244 1.00 0.00 C ATOM 657 O LYS A 46 8.964 8.660 3.803 1.00 0.00 O ATOM 658 CB LYS A 46 5.567 9.365 3.462 1.00 0.00 C ATOM 659 CG LYS A 46 5.184 9.977 2.113 1.00 0.00 C ATOM 660 CD LYS A 46 3.665 10.113 1.984 1.00 0.00 C ATOM 661 CE LYS A 46 3.081 10.879 3.173 1.00 0.00 C ATOM 662 NZ LYS A 46 1.700 10.425 3.454 1.00 0.00 N ATOM 0 H LYS A 46 5.069 6.952 3.605 1.00 0.00 H new ATOM 0 HA LYS A 46 7.031 8.420 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.686 8.926 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.927 10.147 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.651 10.957 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.567 9.354 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.420 10.631 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.211 9.124 1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.706 10.728 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.083 11.948 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.545 10.400 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.023 11.083 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.560 9.473 3.059 1.00 0.00 H new ATOM 676 N VAL A 47 7.534 8.372 5.531 1.00 0.00 N ATOM 677 CA VAL A 47 8.562 8.510 6.549 1.00 0.00 C ATOM 678 C VAL A 47 9.582 7.379 6.395 1.00 0.00 C ATOM 679 O VAL A 47 10.788 7.616 6.438 1.00 0.00 O ATOM 680 CB VAL A 47 7.921 8.551 7.938 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.983 9.752 8.073 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.186 7.244 8.242 1.00 0.00 C ATOM 0 H VAL A 47 6.595 8.206 5.893 1.00 0.00 H new ATOM 0 HA VAL A 47 9.098 9.451 6.425 1.00 0.00 H new ATOM 0 HB VAL A 47 8.719 8.665 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.540 9.758 9.069 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.546 10.673 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.193 9.682 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.740 7.300 9.235 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.403 7.086 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.891 6.413 8.207 1.00 0.00 H new ATOM 692 N SER A 48 9.059 6.174 6.218 1.00 0.00 N ATOM 693 CA SER A 48 9.909 5.007 6.057 1.00 0.00 C ATOM 694 C SER A 48 11.065 5.328 5.108 1.00 0.00 C ATOM 695 O SER A 48 12.207 4.947 5.363 1.00 0.00 O ATOM 696 CB SER A 48 9.109 3.812 5.534 1.00 0.00 C ATOM 697 OG SER A 48 9.876 2.610 5.546 1.00 0.00 O ATOM 0 H SER A 48 8.058 5.981 6.183 1.00 0.00 H new ATOM 0 HA SER A 48 10.313 4.741 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.216 3.678 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.773 4.017 4.518 1.00 0.00 H new ATOM 0 HG SER A 48 9.298 1.851 5.321 1.00 0.00 H new ATOM 703 N PHE A 49 10.730 6.026 4.033 1.00 0.00 N ATOM 704 CA PHE A 49 11.727 6.403 3.044 1.00 0.00 C ATOM 705 C PHE A 49 12.216 7.833 3.277 1.00 0.00 C ATOM 706 O PHE A 49 13.264 8.226 2.766 1.00 0.00 O ATOM 707 CB PHE A 49 11.050 6.325 1.675 1.00 0.00 C ATOM 708 CG PHE A 49 11.000 4.914 1.085 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.038 4.452 0.337 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.917 4.122 1.307 1.00 0.00 C ATOM 711 CE1 PHE A 49 11.992 3.143 -0.210 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.871 2.812 0.760 1.00 0.00 C ATOM 713 CZ PHE A 49 10.909 2.350 0.013 1.00 0.00 C ATOM 0 H PHE A 49 9.782 6.341 3.825 1.00 0.00 H new ATOM 0 HA PHE A 49 12.588 5.738 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.033 6.708 1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.579 6.979 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.897 5.081 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.092 4.489 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.817 2.776 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.011 2.183 0.937 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.874 1.354 -0.403 1.00 0.00 H new ATOM 723 N ASP A 50 11.435 8.574 4.050 1.00 0.00 N ATOM 724 CA ASP A 50 11.776 9.953 4.357 1.00 0.00 C ATOM 725 C ASP A 50 11.329 10.853 3.204 1.00 0.00 C ATOM 726 O ASP A 50 12.073 11.733 2.774 1.00 0.00 O ATOM 727 CB ASP A 50 13.287 10.121 4.530 1.00 0.00 C ATOM 728 CG ASP A 50 13.706 11.152 5.580 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.798 11.657 6.274 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.926 11.411 5.664 1.00 0.00 O ATOM 0 H ASP A 50 10.567 8.245 4.473 1.00 0.00 H new ATOM 0 HA ASP A 50 11.274 10.226 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.717 9.156 4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.718 10.406 3.570 1.00 0.00 H new ATOM 735 N LEU A 51 10.115 10.602 2.735 1.00 0.00 N ATOM 736 CA LEU A 51 9.560 11.379 1.640 1.00 0.00 C ATOM 737 C LEU A 51 8.389 12.217 2.157 1.00 0.00 C ATOM 738 O LEU A 51 7.656 11.785 3.045 1.00 0.00 O ATOM 739 CB LEU A 51 9.192 10.466 0.468 1.00 0.00 C ATOM 740 CG LEU A 51 10.261 9.458 0.042 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.656 8.348 -0.819 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.426 10.157 -0.660 1.00 0.00 C ATOM 0 H LEU A 51 9.500 9.871 3.094 1.00 0.00 H new ATOM 0 HA LEU A 51 10.304 12.075 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.288 9.917 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.947 11.091 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 51 10.662 8.987 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.437 7.645 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.889 7.823 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.210 8.783 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.171 9.417 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.059 10.673 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.879 10.880 0.019 1.00 0.00 H new ATOM 754 N ASN A 52 8.250 13.401 1.580 1.00 0.00 N ATOM 755 CA ASN A 52 7.181 14.304 1.971 1.00 0.00 C ATOM 756 C ASN A 52 5.872 13.847 1.326 1.00 0.00 C ATOM 757 O ASN A 52 4.885 13.605 2.020 1.00 0.00 O ATOM 758 CB ASN A 52 7.467 15.732 1.501 1.00 0.00 C ATOM 759 CG ASN A 52 6.927 16.757 2.501 1.00 0.00 C ATOM 760 OD1 ASN A 52 5.747 16.800 2.809 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.853 17.576 2.989 1.00 0.00 N ATOM 0 H ASN A 52 8.860 13.756 0.844 1.00 0.00 H new ATOM 0 HA ASN A 52 7.108 14.290 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.541 15.870 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.011 15.896 0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.593 18.295 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.823 17.485 2.688 1.00 0.00 H new ATOM 768 N THR A 53 5.904 13.742 0.006 1.00 0.00 N ATOM 769 CA THR A 53 4.732 13.318 -0.740 1.00 0.00 C ATOM 770 C THR A 53 5.083 12.154 -1.669 1.00 0.00 C ATOM 771 O THR A 53 6.073 12.211 -2.396 1.00 0.00 O ATOM 772 CB THR A 53 4.175 14.537 -1.479 1.00 0.00 C ATOM 773 OG1 THR A 53 5.325 15.145 -2.062 1.00 0.00 O ATOM 774 CG2 THR A 53 3.634 15.603 -0.524 1.00 0.00 C ATOM 0 H THR A 53 6.724 13.943 -0.566 1.00 0.00 H new ATOM 0 HA THR A 53 3.956 12.940 -0.075 1.00 0.00 H new ATOM 0 HB THR A 53 3.382 14.220 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.961 14.450 -2.332 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.251 16.446 -1.099 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.830 15.179 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.435 15.945 0.131 1.00 0.00 H new ATOM 782 N ILE A 54 4.252 11.123 -1.613 1.00 0.00 N ATOM 783 CA ILE A 54 4.462 9.947 -2.440 1.00 0.00 C ATOM 784 C ILE A 54 3.124 9.501 -3.034 1.00 0.00 C ATOM 785 O ILE A 54 2.065 9.943 -2.590 1.00 0.00 O ATOM 786 CB ILE A 54 5.175 8.853 -1.643 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.213 8.163 -0.674 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.407 9.411 -0.927 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.935 7.094 0.148 1.00 0.00 C ATOM 0 H ILE A 54 3.432 11.078 -1.008 1.00 0.00 H new ATOM 0 HA ILE A 54 5.120 10.182 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 54 5.525 8.094 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.771 8.903 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.395 7.707 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.895 8.613 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.102 9.817 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.102 10.201 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.228 6.619 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.355 6.343 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.737 7.557 0.723 1.00 0.00 H new ATOM 801 N GLN A 55 3.216 8.632 -4.030 1.00 0.00 N ATOM 802 CA GLN A 55 2.026 8.122 -4.690 1.00 0.00 C ATOM 803 C GLN A 55 2.146 6.612 -4.908 1.00 0.00 C ATOM 804 O GLN A 55 2.177 6.146 -6.045 1.00 0.00 O ATOM 805 CB GLN A 55 1.779 8.849 -6.013 1.00 0.00 C ATOM 806 CG GLN A 55 0.287 8.887 -6.348 1.00 0.00 C ATOM 807 CD GLN A 55 -0.500 9.622 -5.260 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.162 10.719 -4.848 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.566 8.958 -4.821 1.00 0.00 N ATOM 0 H GLN A 55 4.096 8.268 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 55 1.168 8.309 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.167 9.866 -5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.323 8.348 -6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.138 9.383 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.092 7.870 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.792 8.042 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.157 9.365 -4.096 1.00 0.00 H new ATOM 818 N ILE A 56 2.211 5.890 -3.799 1.00 0.00 N ATOM 819 CA ILE A 56 2.327 4.443 -3.854 1.00 0.00 C ATOM 820 C ILE A 56 1.451 3.908 -4.989 1.00 0.00 C ATOM 821 O ILE A 56 0.490 4.560 -5.395 1.00 0.00 O ATOM 822 CB ILE A 56 2.009 3.827 -2.490 1.00 0.00 C ATOM 823 CG1 ILE A 56 3.014 4.290 -1.432 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.934 2.302 -2.580 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.328 4.501 -0.081 1.00 0.00 C ATOM 0 H ILE A 56 2.186 6.280 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 56 3.353 4.152 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 56 1.026 4.179 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.807 3.549 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.485 5.219 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.707 1.890 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.151 2.017 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.891 1.910 -2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.064 4.830 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.552 5.260 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.879 3.564 0.249 1.00 0.00 H new ATOM 837 N LYS A 57 1.814 2.727 -5.468 1.00 0.00 N ATOM 838 CA LYS A 57 1.073 2.098 -6.548 1.00 0.00 C ATOM 839 C LYS A 57 1.237 0.580 -6.456 1.00 0.00 C ATOM 840 O LYS A 57 2.354 0.068 -6.505 1.00 0.00 O ATOM 841 CB LYS A 57 1.494 2.681 -7.898 1.00 0.00 C ATOM 842 CG LYS A 57 0.765 3.997 -8.179 1.00 0.00 C ATOM 843 CD LYS A 57 0.746 4.304 -9.678 1.00 0.00 C ATOM 844 CE LYS A 57 1.058 5.779 -9.939 1.00 0.00 C ATOM 845 NZ LYS A 57 2.172 5.910 -10.904 1.00 0.00 N ATOM 0 H LYS A 57 2.611 2.189 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 57 0.008 2.311 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.571 2.849 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.278 1.965 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.256 3.938 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.255 4.810 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.476 3.678 -10.190 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.232 4.057 -10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.172 6.281 -10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.320 6.273 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.371 6.917 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.021 5.448 -10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.908 5.457 -11.802 1.00 0.00 H new ATOM 859 N TYR A 58 0.106 -0.099 -6.323 1.00 0.00 N ATOM 860 CA TYR A 58 0.111 -1.548 -6.223 1.00 0.00 C ATOM 861 C TYR A 58 -0.473 -2.186 -7.485 1.00 0.00 C ATOM 862 O TYR A 58 -1.403 -1.648 -8.084 1.00 0.00 O ATOM 863 CB TYR A 58 -0.785 -1.892 -5.031 1.00 0.00 C ATOM 864 CG TYR A 58 -2.276 -1.954 -5.371 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.793 -3.066 -6.003 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.103 -0.898 -5.045 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.196 -3.125 -6.323 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.506 -0.957 -5.365 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.983 -2.068 -5.988 1.00 0.00 C ATOM 870 OH TYR A 58 -6.308 -2.123 -6.290 1.00 0.00 O ATOM 0 H TYR A 58 -0.819 0.328 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 58 1.128 -1.921 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.476 -2.854 -4.623 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.632 -1.149 -4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.146 -3.892 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.698 -0.028 -4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.614 -3.989 -6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.164 -0.138 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.447 -2.736 -7.042 1.00 0.00 H new ATOM 880 N LEU A 59 0.097 -3.324 -7.853 1.00 0.00 N ATOM 881 CA LEU A 59 -0.355 -4.041 -9.033 1.00 0.00 C ATOM 882 C LEU A 59 -1.599 -4.861 -8.681 1.00 0.00 C ATOM 883 O LEU A 59 -1.573 -5.666 -7.752 1.00 0.00 O ATOM 884 CB LEU A 59 0.784 -4.875 -9.623 1.00 0.00 C ATOM 885 CG LEU A 59 1.706 -4.151 -10.606 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.634 -5.138 -11.316 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.899 -3.309 -11.596 1.00 0.00 C ATOM 0 H LEU A 59 0.868 -3.767 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.645 -3.341 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.390 -5.258 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.351 -5.738 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 59 2.337 -3.466 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.279 -4.597 -12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.247 -5.656 -10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.038 -5.865 -11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.578 -2.805 -12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.226 -3.955 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.317 -2.566 -11.051 1.00 0.00 H new ATOM 899 N ASP A 60 -2.657 -4.627 -9.443 1.00 0.00 N ATOM 900 CA ASP A 60 -3.908 -5.333 -9.223 1.00 0.00 C ATOM 901 C ASP A 60 -3.818 -6.727 -9.847 1.00 0.00 C ATOM 902 O ASP A 60 -2.725 -7.267 -10.015 1.00 0.00 O ATOM 903 CB ASP A 60 -5.078 -4.597 -9.878 1.00 0.00 C ATOM 904 CG ASP A 60 -6.331 -4.472 -9.008 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.980 -5.519 -8.794 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.612 -3.333 -8.578 1.00 0.00 O ATOM 0 H ASP A 60 -2.674 -3.959 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.077 -5.394 -8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.747 -3.597 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.344 -5.115 -10.799 1.00 0.00 H new ATOM 911 N GLU A 61 -4.981 -7.271 -10.175 1.00 0.00 N ATOM 912 CA GLU A 61 -5.047 -8.591 -10.776 1.00 0.00 C ATOM 913 C GLU A 61 -4.890 -8.491 -12.295 1.00 0.00 C ATOM 914 O GLU A 61 -5.181 -9.444 -13.017 1.00 0.00 O ATOM 915 CB GLU A 61 -6.352 -9.299 -10.405 1.00 0.00 C ATOM 916 CG GLU A 61 -6.321 -9.780 -8.953 1.00 0.00 C ATOM 917 CD GLU A 61 -6.908 -11.187 -8.830 1.00 0.00 C ATOM 918 OE1 GLU A 61 -8.147 -11.298 -8.950 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.104 -12.121 -8.617 1.00 0.00 O ATOM 0 H GLU A 61 -5.885 -6.821 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.224 -9.189 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.192 -8.620 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.511 -10.148 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.294 -9.777 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.885 -9.090 -8.325 1.00 0.00 H new ATOM 926 N GLU A 62 -4.432 -7.328 -12.735 1.00 0.00 N ATOM 927 CA GLU A 62 -4.234 -7.091 -14.155 1.00 0.00 C ATOM 928 C GLU A 62 -2.790 -6.662 -14.425 1.00 0.00 C ATOM 929 O GLU A 62 -2.423 -6.388 -15.566 1.00 0.00 O ATOM 930 CB GLU A 62 -5.223 -6.049 -14.680 1.00 0.00 C ATOM 931 CG GLU A 62 -6.645 -6.356 -14.207 1.00 0.00 C ATOM 932 CD GLU A 62 -7.528 -6.801 -15.375 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.458 -8.002 -15.713 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.252 -5.930 -15.904 1.00 0.00 O ATOM 0 H GLU A 62 -4.192 -6.540 -12.133 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.422 -8.023 -14.689 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.928 -5.057 -14.337 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.194 -6.031 -15.769 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.619 -7.138 -13.448 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.075 -5.471 -13.738 1.00 0.00 H new ATOM 941 N ASN A 63 -2.010 -6.616 -13.355 1.00 0.00 N ATOM 942 CA ASN A 63 -0.615 -6.224 -13.461 1.00 0.00 C ATOM 943 C ASN A 63 -0.532 -4.730 -13.778 1.00 0.00 C ATOM 944 O ASN A 63 0.454 -4.266 -14.348 1.00 0.00 O ATOM 945 CB ASN A 63 0.086 -6.986 -14.588 1.00 0.00 C ATOM 946 CG ASN A 63 1.231 -7.841 -14.042 1.00 0.00 C ATOM 947 OD1 ASN A 63 1.397 -8.011 -12.846 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.008 -8.370 -14.984 1.00 0.00 N ATOM 0 H ASN A 63 -2.318 -6.844 -12.410 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.127 -6.452 -12.513 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.633 -7.622 -15.104 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.473 -6.280 -15.323 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.799 -8.958 -14.722 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.813 -8.187 -15.968 1.00 0.00 H new ATOM 955 N GLU A 64 -1.581 -4.017 -13.394 1.00 0.00 N ATOM 956 CA GLU A 64 -1.640 -2.585 -13.630 1.00 0.00 C ATOM 957 C GLU A 64 -1.493 -1.823 -12.311 1.00 0.00 C ATOM 958 O GLU A 64 -2.188 -2.117 -11.340 1.00 0.00 O ATOM 959 CB GLU A 64 -2.936 -2.199 -14.344 1.00 0.00 C ATOM 960 CG GLU A 64 -2.910 -2.645 -15.807 1.00 0.00 C ATOM 961 CD GLU A 64 -4.277 -2.446 -16.466 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.122 -3.352 -16.305 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.445 -1.391 -17.115 1.00 0.00 O ATOM 0 H GLU A 64 -2.397 -4.405 -12.921 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.810 -2.310 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.785 -2.656 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.076 -1.119 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.154 -2.078 -16.350 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.624 -3.695 -15.866 1.00 0.00 H new ATOM 970 N GLU A 65 -0.583 -0.860 -12.319 1.00 0.00 N ATOM 971 CA GLU A 65 -0.336 -0.054 -11.135 1.00 0.00 C ATOM 972 C GLU A 65 -1.621 0.652 -10.696 1.00 0.00 C ATOM 973 O GLU A 65 -2.297 1.280 -11.509 1.00 0.00 O ATOM 974 CB GLU A 65 0.787 0.955 -11.383 1.00 0.00 C ATOM 975 CG GLU A 65 2.151 0.262 -11.407 1.00 0.00 C ATOM 976 CD GLU A 65 3.273 1.270 -11.662 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.207 2.359 -11.051 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.172 0.929 -12.461 1.00 0.00 O ATOM 0 H GLU A 65 -0.008 -0.620 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.014 -0.715 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.618 1.467 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.776 1.716 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.322 -0.245 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.161 -0.503 -12.184 1.00 0.00 H new ATOM 985 N VAL A 66 -1.919 0.525 -9.411 1.00 0.00 N ATOM 986 CA VAL A 66 -3.110 1.144 -8.855 1.00 0.00 C ATOM 987 C VAL A 66 -2.701 2.151 -7.779 1.00 0.00 C ATOM 988 O VAL A 66 -2.068 1.786 -6.789 1.00 0.00 O ATOM 989 CB VAL A 66 -4.064 0.067 -8.333 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.318 0.694 -7.723 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.429 -0.925 -9.440 1.00 0.00 C ATOM 0 H VAL A 66 -1.356 0.003 -8.739 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.650 1.693 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.549 -0.484 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.979 -0.093 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.034 1.341 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.836 1.282 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.108 -1.680 -9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.915 -0.394 -10.258 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.524 -1.408 -9.808 1.00 0.00 H new ATOM 1001 N SER A 67 -3.079 3.400 -8.009 1.00 0.00 N ATOM 1002 CA SER A 67 -2.759 4.464 -7.071 1.00 0.00 C ATOM 1003 C SER A 67 -3.847 4.561 -6.000 1.00 0.00 C ATOM 1004 O SER A 67 -5.024 4.720 -6.318 1.00 0.00 O ATOM 1005 CB SER A 67 -2.602 5.804 -7.792 1.00 0.00 C ATOM 1006 OG SER A 67 -3.858 6.438 -8.020 1.00 0.00 O ATOM 0 H SER A 67 -3.604 3.699 -8.831 1.00 0.00 H new ATOM 0 HA SER A 67 -1.809 4.226 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.966 6.462 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.097 5.646 -8.745 1.00 0.00 H new ATOM 0 HG SER A 67 -4.575 5.893 -7.633 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.414 4.462 -4.752 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.336 4.537 -3.631 1.00 0.00 C ATOM 1014 C ILE A 68 -4.358 5.967 -3.090 1.00 0.00 C ATOM 1015 O ILE A 68 -3.312 6.600 -2.953 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.985 3.485 -2.577 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.935 2.086 -3.193 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.948 3.556 -1.390 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.461 1.052 -2.170 1.00 0.00 C ATOM 0 H ILE A 68 -2.437 4.330 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.350 4.303 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.988 3.703 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.924 1.812 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.264 2.087 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.677 2.798 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.888 4.543 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.966 3.378 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.435 0.066 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.462 1.316 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.148 1.036 -1.324 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.562 6.436 -2.795 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.735 7.780 -2.271 1.00 0.00 C ATOM 1033 C ASN A 69 -6.498 7.713 -0.947 1.00 0.00 C ATOM 1034 O ASN A 69 -6.141 8.392 0.014 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.541 8.649 -3.239 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.625 9.588 -4.027 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.699 10.801 -3.923 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.760 8.960 -4.819 1.00 0.00 N ATOM 0 H ASN A 69 -6.427 5.908 -2.909 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.746 8.217 -2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.095 8.013 -3.929 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.275 9.233 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.105 9.498 -5.387 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.752 7.941 -4.858 1.00 0.00 H new ATOM 1045 N SER A 70 -7.535 6.888 -0.940 1.00 0.00 N ATOM 1046 CA SER A 70 -8.352 6.723 0.250 1.00 0.00 C ATOM 1047 C SER A 70 -8.296 5.270 0.726 1.00 0.00 C ATOM 1048 O SER A 70 -7.648 4.433 0.100 1.00 0.00 O ATOM 1049 CB SER A 70 -9.800 7.140 -0.014 1.00 0.00 C ATOM 1050 OG SER A 70 -9.880 8.371 -0.726 1.00 0.00 O ATOM 0 H SER A 70 -7.828 6.327 -1.740 1.00 0.00 H new ATOM 0 HA SER A 70 -7.953 7.370 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.304 6.359 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.329 7.235 0.935 1.00 0.00 H new ATOM 0 HG SER A 70 -10.821 8.601 -0.876 1.00 0.00 H new ATOM 1056 N GLN A 71 -8.984 5.016 1.830 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.021 3.678 2.397 1.00 0.00 C ATOM 1058 C GLN A 71 -9.654 2.699 1.406 1.00 0.00 C ATOM 1059 O GLN A 71 -9.066 1.667 1.087 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.769 3.669 3.731 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.806 2.261 4.330 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.217 2.250 5.742 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.525 3.084 6.577 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.354 1.262 5.960 1.00 0.00 N ATOM 0 H GLN A 71 -9.520 5.713 2.347 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.997 3.357 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.284 4.352 4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.786 4.032 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.834 1.901 4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.246 1.576 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.141 0.597 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.905 1.169 6.871 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.844 3.057 0.947 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.563 2.223 -0.001 1.00 0.00 C ATOM 1075 C GLY A 72 -10.605 1.599 -1.018 1.00 0.00 C ATOM 1076 O GLY A 72 -10.647 0.393 -1.255 1.00 0.00 O ATOM 0 H GLY A 72 -11.329 3.914 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.096 1.436 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.313 2.820 -0.521 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.766 2.448 -1.591 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.800 1.995 -2.577 1.00 0.00 C ATOM 1082 C GLU A 73 -7.846 0.972 -1.955 1.00 0.00 C ATOM 1083 O GLU A 73 -7.529 -0.042 -2.574 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.027 3.175 -3.170 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.684 3.666 -4.462 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.758 4.622 -5.218 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.426 5.674 -4.631 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.404 4.278 -6.367 1.00 0.00 O ATOM 0 H GLU A 73 -9.735 3.448 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.341 1.511 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.987 3.989 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.998 2.876 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.930 2.814 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.622 4.170 -4.229 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.416 1.275 -0.739 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.505 0.395 -0.027 1.00 0.00 C ATOM 1097 C TYR A 74 -7.194 -0.918 0.350 1.00 0.00 C ATOM 1098 O TYR A 74 -6.643 -1.997 0.135 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.115 1.138 1.252 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.118 0.381 2.132 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.194 -0.467 1.555 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.142 0.546 3.501 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.255 -1.179 2.383 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.204 -0.167 4.329 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.307 -0.994 3.729 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.420 -1.667 4.511 1.00 0.00 O ATOM 0 H TYR A 74 -7.682 2.117 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.643 0.151 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.686 2.103 0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.016 1.340 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.175 -0.596 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.864 1.210 3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.526 -1.845 1.945 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.213 -0.048 5.402 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.573 -1.437 5.451 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.390 -0.784 0.906 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.160 -1.946 1.315 1.00 0.00 C ATOM 1118 C GLU A 75 -9.094 -3.032 0.239 1.00 0.00 C ATOM 1119 O GLU A 75 -8.559 -4.114 0.476 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.609 -1.564 1.619 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.709 -0.800 2.942 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.809 -1.384 3.830 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.021 -2.612 3.738 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.413 -0.589 4.582 1.00 0.00 O ATOM 0 H GLU A 75 -8.844 0.112 1.083 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.723 -2.343 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.004 -0.950 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.223 -2.463 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.753 -0.844 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.916 0.252 2.744 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.645 -2.705 -0.921 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.655 -3.639 -2.034 1.00 0.00 C ATOM 1133 C GLU A 76 -8.270 -4.264 -2.216 1.00 0.00 C ATOM 1134 O GLU A 76 -8.135 -5.486 -2.241 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.121 -2.954 -3.320 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.622 -2.662 -3.273 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.433 -3.959 -3.247 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -11.997 -4.914 -3.925 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.470 -3.967 -2.549 1.00 0.00 O ATOM 0 H GLU A 76 -10.088 -1.807 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.364 -4.435 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.570 -2.024 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.897 -3.590 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.853 -2.067 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.908 -2.068 -4.141 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.277 -3.396 -2.338 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.907 -3.847 -2.517 1.00 0.00 C ATOM 1148 C ALA A 77 -5.569 -4.877 -1.438 1.00 0.00 C ATOM 1149 O ALA A 77 -4.938 -5.894 -1.721 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.965 -2.642 -2.489 1.00 0.00 C ATOM 0 H ALA A 77 -7.393 -2.383 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.786 -4.332 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.938 -2.980 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.229 -1.955 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.056 -2.131 -1.531 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.004 -4.578 -0.222 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.755 -5.465 0.901 1.00 0.00 C ATOM 1158 C LEU A 78 -6.472 -6.795 0.663 1.00 0.00 C ATOM 1159 O LEU A 78 -5.962 -7.853 1.029 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.140 -4.785 2.216 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.155 -3.740 2.745 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.740 -2.993 3.945 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.803 -4.377 3.071 1.00 0.00 C ATOM 0 H LEU A 78 -6.527 -3.734 0.009 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.691 -5.687 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.110 -4.306 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.265 -5.555 2.977 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.984 -3.004 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.020 -2.256 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.658 -2.488 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.959 -3.702 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.121 -3.613 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.937 -5.147 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.385 -4.826 2.170 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.643 -6.698 0.052 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.436 -7.881 -0.238 1.00 0.00 C ATOM 1177 C LYS A 79 -7.696 -8.747 -1.261 1.00 0.00 C ATOM 1178 O LYS A 79 -7.692 -9.972 -1.155 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.848 -7.486 -0.674 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.665 -6.973 0.513 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.355 -5.650 0.174 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.425 -5.308 1.212 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.376 -4.313 0.668 1.00 0.00 N ATOM 0 H LYS A 79 -8.062 -5.819 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.562 -8.485 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.793 -6.715 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.348 -8.345 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.412 -7.716 0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.013 -6.836 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.615 -4.850 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.810 -5.716 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.961 -6.212 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.954 -4.915 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.345 -4.574 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.151 -3.372 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.301 -4.292 -0.369 1.00 0.00 H new ATOM 1197 N MET A 80 -7.088 -8.075 -2.228 1.00 0.00 N ATOM 1198 CA MET A 80 -6.347 -8.767 -3.268 1.00 0.00 C ATOM 1199 C MET A 80 -5.091 -9.430 -2.698 1.00 0.00 C ATOM 1200 O MET A 80 -4.786 -10.575 -3.027 1.00 0.00 O ATOM 1201 CB MET A 80 -5.949 -7.772 -4.360 1.00 0.00 C ATOM 1202 CG MET A 80 -5.775 -8.476 -5.707 1.00 0.00 C ATOM 1203 SD MET A 80 -4.881 -7.422 -6.836 1.00 0.00 S ATOM 1204 CE MET A 80 -3.205 -7.818 -6.369 1.00 0.00 C ATOM 0 H MET A 80 -7.094 -7.059 -2.313 1.00 0.00 H new ATOM 0 HA MET A 80 -6.986 -9.544 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.711 -6.997 -4.446 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.019 -7.275 -4.083 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.237 -9.414 -5.569 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.750 -8.726 -6.125 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.695 -6.912 -6.043 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.216 -8.542 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.679 -8.242 -7.225 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.397 -8.681 -1.853 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.182 -9.182 -1.235 1.00 0.00 C ATOM 1216 C ALA A 81 -3.435 -10.588 -0.688 1.00 0.00 C ATOM 1217 O ALA A 81 -2.618 -11.488 -0.878 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.723 -8.208 -0.148 1.00 0.00 C ATOM 0 H ALA A 81 -4.653 -7.732 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.380 -9.253 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.811 -8.584 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.528 -7.232 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.502 -8.113 0.608 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.570 -10.734 -0.020 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.940 -12.016 0.555 1.00 0.00 C ATOM 1226 C VAL A 82 -4.882 -13.093 -0.530 1.00 0.00 C ATOM 1227 O VAL A 82 -4.371 -14.187 -0.297 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.313 -11.912 1.222 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.777 -13.277 1.737 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.299 -10.877 2.349 1.00 0.00 C ATOM 0 H VAL A 82 -5.245 -9.986 0.136 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.235 -12.303 1.335 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.026 -11.577 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.755 -13.175 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.845 -13.976 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.061 -13.653 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.287 -10.823 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.567 -11.169 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.033 -9.901 1.943 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.413 -12.745 -1.693 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.429 -13.669 -2.814 1.00 0.00 C ATOM 1242 C LYS A 83 -3.994 -14.086 -3.146 1.00 0.00 C ATOM 1243 O LYS A 83 -3.712 -15.270 -3.319 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.181 -13.060 -3.999 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.616 -12.697 -3.610 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.550 -12.779 -4.819 1.00 0.00 C ATOM 1247 CE LYS A 83 -8.363 -11.572 -5.739 1.00 0.00 C ATOM 1248 NZ LYS A 83 -9.573 -10.720 -5.728 1.00 0.00 N ATOM 0 H LYS A 83 -5.835 -11.836 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.973 -14.576 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.658 -12.169 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.193 -13.767 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.966 -13.372 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.640 -11.689 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.354 -13.697 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.585 -12.826 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.499 -10.991 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.158 -11.910 -6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.429 -9.905 -6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.390 -11.273 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.751 -10.383 -4.761 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.125 -13.088 -3.224 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.727 -13.337 -3.531 1.00 0.00 C ATOM 1264 C GLN A 84 -1.119 -14.291 -2.502 1.00 0.00 C ATOM 1265 O GLN A 84 -0.720 -15.405 -2.841 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.939 -12.027 -3.596 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.701 -10.968 -4.396 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.824 -10.381 -5.504 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.191 -11.088 -6.270 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.822 -9.051 -5.545 1.00 0.00 N ATOM 0 H GLN A 84 -3.362 -12.106 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.669 -13.808 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.752 -11.661 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.033 -12.206 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.596 -11.411 -4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.032 -10.172 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.375 -8.519 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.267 -8.563 -6.248 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.066 -13.821 -1.264 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.513 -14.619 -0.183 1.00 0.00 C ATOM 1281 C GLY A 85 -0.207 -13.751 1.039 1.00 0.00 C ATOM 1282 O GLY A 85 0.850 -13.887 1.653 1.00 0.00 O ATOM 0 H GLY A 85 -1.397 -12.897 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.218 -15.404 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.398 -15.113 -0.520 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.151 -12.876 1.355 1.00 0.00 N ATOM 1287 CA ASN A 86 -0.996 -11.986 2.492 1.00 0.00 C ATOM 1288 C ASN A 86 0.107 -10.969 2.191 1.00 0.00 C ATOM 1289 O ASN A 86 0.801 -10.513 3.099 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.594 -12.761 3.748 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.498 -13.978 3.954 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.266 -15.053 3.427 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.540 -13.749 4.749 1.00 0.00 N ATOM 0 H ASN A 86 -2.026 -12.765 0.843 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.951 -11.490 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.444 -13.084 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.654 -12.107 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.203 -14.498 4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.676 -12.825 5.158 1.00 0.00 H new ATOM 1300 N GLN A 87 0.234 -10.642 0.913 1.00 0.00 N ATOM 1301 CA GLN A 87 1.240 -9.687 0.482 1.00 0.00 C ATOM 1302 C GLN A 87 0.735 -8.891 -0.723 1.00 0.00 C ATOM 1303 O GLN A 87 -0.136 -9.356 -1.457 1.00 0.00 O ATOM 1304 CB GLN A 87 2.560 -10.390 0.159 1.00 0.00 C ATOM 1305 CG GLN A 87 2.413 -11.302 -1.060 1.00 0.00 C ATOM 1306 CD GLN A 87 2.705 -10.539 -2.354 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.116 -9.391 -2.348 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.472 -11.241 -3.460 1.00 0.00 N ATOM 0 H GLN A 87 -0.343 -11.022 0.163 1.00 0.00 H new ATOM 0 HA GLN A 87 1.426 -8.991 1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.335 -9.647 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.884 -10.976 1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.095 -12.148 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.403 -11.710 -1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.128 -12.199 -3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.638 -10.821 -4.375 1.00 0.00 H new ATOM 1317 N LEU A 88 1.303 -7.706 -0.890 1.00 0.00 N ATOM 1318 CA LEU A 88 0.920 -6.841 -1.993 1.00 0.00 C ATOM 1319 C LEU A 88 2.166 -6.144 -2.544 1.00 0.00 C ATOM 1320 O LEU A 88 3.013 -5.684 -1.781 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.184 -5.875 -1.559 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.886 -5.110 -2.683 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.510 -6.073 -3.695 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.913 -4.127 -2.118 1.00 0.00 C ATOM 0 H LEU A 88 2.026 -7.324 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 88 0.495 -7.428 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.935 -6.438 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.246 -5.151 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.138 -4.523 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.002 -5.504 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.731 -6.698 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.242 -6.705 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.398 -3.596 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.663 -4.673 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.411 -3.410 -1.468 1.00 0.00 H new ATOM 1336 N GLN A 89 2.237 -6.088 -3.866 1.00 0.00 N ATOM 1337 CA GLN A 89 3.365 -5.455 -4.528 1.00 0.00 C ATOM 1338 C GLN A 89 3.062 -3.979 -4.798 1.00 0.00 C ATOM 1339 O GLN A 89 2.394 -3.648 -5.776 1.00 0.00 O ATOM 1340 CB GLN A 89 3.722 -6.187 -5.824 1.00 0.00 C ATOM 1341 CG GLN A 89 5.133 -6.773 -5.751 1.00 0.00 C ATOM 1342 CD GLN A 89 6.190 -5.685 -5.953 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.795 -5.190 -5.016 1.00 0.00 O ATOM 1344 NE2 GLN A 89 6.376 -5.340 -7.224 1.00 0.00 N ATOM 0 H GLN A 89 1.532 -6.470 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 89 4.229 -5.514 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.002 -6.985 -6.006 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.653 -5.498 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.281 -7.254 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.250 -7.544 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.836 -5.795 -7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.059 -4.621 -7.463 1.00 0.00 H new ATOM 1353 N MET A 90 3.568 -3.133 -3.913 1.00 0.00 N ATOM 1354 CA MET A 90 3.360 -1.701 -4.044 1.00 0.00 C ATOM 1355 C MET A 90 4.643 -0.999 -4.495 1.00 0.00 C ATOM 1356 O MET A 90 5.744 -1.466 -4.208 1.00 0.00 O ATOM 1357 CB MET A 90 2.910 -1.126 -2.699 1.00 0.00 C ATOM 1358 CG MET A 90 1.630 -1.808 -2.212 1.00 0.00 C ATOM 1359 SD MET A 90 1.450 -1.583 -0.451 1.00 0.00 S ATOM 1360 CE MET A 90 0.184 -0.325 -0.427 1.00 0.00 C ATOM 0 H MET A 90 4.121 -3.412 -3.103 1.00 0.00 H new ATOM 0 HA MET A 90 2.591 -1.532 -4.798 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.700 -1.258 -1.960 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.741 -0.054 -2.796 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.766 -1.391 -2.730 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.662 -2.871 -2.450 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.592 0.594 -0.005 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.160 -0.136 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.654 -0.663 0.183 1.00 0.00 H new ATOM 1370 N GLN A 91 4.458 0.111 -5.194 1.00 0.00 N ATOM 1371 CA GLN A 91 5.586 0.881 -5.688 1.00 0.00 C ATOM 1372 C GLN A 91 5.414 2.360 -5.337 1.00 0.00 C ATOM 1373 O GLN A 91 4.420 2.980 -5.714 1.00 0.00 O ATOM 1374 CB GLN A 91 5.761 0.693 -7.196 1.00 0.00 C ATOM 1375 CG GLN A 91 6.383 -0.670 -7.510 1.00 0.00 C ATOM 1376 CD GLN A 91 6.245 -1.006 -8.996 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.460 -0.181 -9.869 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.875 -2.261 -9.234 1.00 0.00 N ATOM 0 H GLN A 91 3.543 0.495 -5.430 1.00 0.00 H new ATOM 0 HA GLN A 91 6.490 0.515 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.794 0.778 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.394 1.486 -7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.437 -0.666 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.898 -1.442 -6.912 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.711 -2.901 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.755 -2.584 -10.194 1.00 0.00 H new ATOM 1387 N VAL A 92 6.396 2.884 -4.618 1.00 0.00 N ATOM 1388 CA VAL A 92 6.365 4.278 -4.212 1.00 0.00 C ATOM 1389 C VAL A 92 6.612 5.166 -5.433 1.00 0.00 C ATOM 1390 O VAL A 92 7.433 4.838 -6.288 1.00 0.00 O ATOM 1391 CB VAL A 92 7.372 4.517 -3.085 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.995 5.911 -3.193 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.722 4.312 -1.716 1.00 0.00 C ATOM 0 H VAL A 92 7.218 2.367 -4.306 1.00 0.00 H new ATOM 0 HA VAL A 92 5.384 4.538 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 92 8.171 3.783 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.707 6.055 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.511 6.006 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.211 6.666 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.460 4.488 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.894 5.011 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.349 3.291 -1.640 1.00 0.00 H new ATOM 1403 N HIS A 93 5.887 6.274 -5.475 1.00 0.00 N ATOM 1404 CA HIS A 93 6.017 7.212 -6.578 1.00 0.00 C ATOM 1405 C HIS A 93 5.943 8.644 -6.044 1.00 0.00 C ATOM 1406 O HIS A 93 4.857 9.204 -5.908 1.00 0.00 O ATOM 1407 CB HIS A 93 4.973 6.928 -7.659 1.00 0.00 C ATOM 1408 CG HIS A 93 5.345 5.798 -8.590 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.234 5.953 -9.639 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.940 4.496 -8.617 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.350 4.790 -10.263 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.547 3.888 -9.628 1.00 0.00 N ATOM 0 H HIS A 93 5.208 6.544 -4.763 1.00 0.00 H new ATOM 0 HA HIS A 93 6.990 7.088 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.023 6.692 -7.179 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.818 7.833 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.243 4.037 -7.931 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.971 4.591 -11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.432 2.908 -9.888 1.00 0.00 H new ATOM 1420 N GLU A 94 7.113 9.196 -5.757 1.00 0.00 N ATOM 1421 CA GLU A 94 7.195 10.552 -5.242 1.00 0.00 C ATOM 1422 C GLU A 94 6.238 11.469 -6.007 1.00 0.00 C ATOM 1423 O GLU A 94 5.927 11.216 -7.170 1.00 0.00 O ATOM 1424 CB GLU A 94 8.630 11.079 -5.309 1.00 0.00 C ATOM 1425 CG GLU A 94 9.077 11.627 -3.952 1.00 0.00 C ATOM 1426 CD GLU A 94 8.960 13.152 -3.913 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.074 13.673 -4.625 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.759 13.763 -3.170 1.00 0.00 O ATOM 0 H GLU A 94 8.012 8.728 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 94 6.896 10.540 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.301 10.279 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.698 11.864 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.467 11.191 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.108 11.332 -3.758 1.00 0.00 H new ATOM 1435 N GLY A 95 5.799 12.515 -5.323 1.00 0.00 N ATOM 1436 CA GLY A 95 4.884 13.471 -5.924 1.00 0.00 C ATOM 1437 C GLY A 95 3.436 12.988 -5.814 1.00 0.00 C ATOM 1438 O GLY A 95 3.134 11.841 -6.142 1.00 0.00 O ATOM 0 H GLY A 95 6.060 12.722 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.987 14.438 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.143 13.618 -6.972 1.00 0.00 H new ATOM 1442 N SER A 96 2.579 13.887 -5.352 1.00 0.00 N ATOM 1443 CA SER A 96 1.171 13.566 -5.195 1.00 0.00 C ATOM 1444 C SER A 96 0.400 13.965 -6.455 1.00 0.00 C ATOM 1445 O SER A 96 0.398 15.133 -6.842 1.00 0.00 O ATOM 1446 CB SER A 96 0.580 14.264 -3.968 1.00 0.00 C ATOM 1447 OG SER A 96 -0.217 13.381 -3.184 1.00 0.00 O ATOM 0 H SER A 96 2.833 14.837 -5.082 1.00 0.00 H new ATOM 0 HA SER A 96 1.080 12.490 -5.046 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.387 14.665 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.026 15.111 -4.290 1.00 0.00 H new ATOM 0 HG SER A 96 -0.305 12.522 -3.647 1.00 0.00 H new ATOM 1453 N GLY A 97 -0.235 12.973 -7.060 1.00 0.00 N ATOM 1454 CA GLY A 97 -1.008 13.206 -8.269 1.00 0.00 C ATOM 1455 C GLY A 97 -0.122 13.113 -9.513 1.00 0.00 C ATOM 1456 O GLY A 97 1.055 13.466 -9.468 1.00 0.00 O ATOM 0 H GLY A 97 -0.231 12.006 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.813 12.475 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.474 14.190 -8.223 1.00 0.00 H new ATOM 1460 N PRO A 98 -0.738 12.624 -10.622 1.00 0.00 N ATOM 1461 CA PRO A 98 -0.018 12.481 -11.876 1.00 0.00 C ATOM 1462 C PRO A 98 0.189 13.840 -12.548 1.00 0.00 C ATOM 1463 O PRO A 98 -0.373 14.104 -13.610 1.00 0.00 O ATOM 1464 CB PRO A 98 -0.863 11.530 -12.708 1.00 0.00 C ATOM 1465 CG PRO A 98 -2.247 11.542 -12.079 1.00 0.00 C ATOM 1466 CD PRO A 98 -2.131 12.197 -10.712 1.00 0.00 C ATOM 0 HA PRO A 98 0.988 12.085 -11.740 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -0.904 11.853 -13.748 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.440 10.525 -12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.947 12.092 -12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -2.632 10.527 -11.985 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -2.811 13.044 -10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.383 11.497 -9.915 1.00 0.00 H new ATOM 1474 N SER A 99 0.998 14.666 -11.901 1.00 0.00 N ATOM 1475 CA SER A 99 1.286 15.991 -12.423 1.00 0.00 C ATOM 1476 C SER A 99 2.567 15.957 -13.259 1.00 0.00 C ATOM 1477 O SER A 99 2.527 16.161 -14.471 1.00 0.00 O ATOM 1478 CB SER A 99 1.419 17.012 -11.291 1.00 0.00 C ATOM 1479 OG SER A 99 0.776 18.244 -11.605 1.00 0.00 O ATOM 0 H SER A 99 1.463 14.444 -11.021 1.00 0.00 H new ATOM 0 HA SER A 99 0.454 16.297 -13.057 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.987 16.600 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.475 17.195 -11.090 1.00 0.00 H new ATOM 0 HG SER A 99 0.882 18.868 -10.857 1.00 0.00 H new ATOM 1485 N SER A 100 3.674 15.698 -12.578 1.00 0.00 N ATOM 1486 CA SER A 100 4.964 15.634 -13.243 1.00 0.00 C ATOM 1487 C SER A 100 5.088 14.322 -14.020 1.00 0.00 C ATOM 1488 O SER A 100 5.330 14.331 -15.226 1.00 0.00 O ATOM 1489 CB SER A 100 6.109 15.766 -12.237 1.00 0.00 C ATOM 1490 OG SER A 100 6.489 17.124 -12.035 1.00 0.00 O ATOM 0 H SER A 100 3.704 15.530 -11.572 1.00 0.00 H new ATOM 0 HA SER A 100 5.031 16.469 -13.940 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.807 15.329 -11.285 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.969 15.198 -12.591 1.00 0.00 H new ATOM 0 HG SER A 100 7.221 17.166 -11.385 1.00 0.00 H new ATOM 1496 N GLY A 101 4.918 13.225 -13.297 1.00 0.00 N ATOM 1497 CA GLY A 101 5.008 11.908 -13.904 1.00 0.00 C ATOM 1498 C GLY A 101 3.646 11.210 -13.905 1.00 0.00 C ATOM 1499 O GLY A 101 3.069 10.965 -12.847 1.00 0.00 O ATOM 0 H GLY A 101 4.718 13.221 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.375 11.999 -14.926 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.731 11.301 -13.359 1.00 0.00 H new TER 1503 GLY A 101