USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 hydrogens (15 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 NoAdj-H: A 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 130 HIS : no HD1:sc= 0.645 K(o=1.7,f=-0.87) USER MOD Set 1.2: A 145 ASN : amide:sc= 1.02 K(o=1.7,f=-0.75) USER MOD Set 2.1: A 92 GLN : amide:sc= 1.1 K(o=2.4,f=-1.8) USER MOD Set 2.2: A 121 TYR OH : rot -15:sc= 1.28 USER MOD Set 3.1: A 116 TYR OH : rot 130:sc= 0.52 USER MOD Set 3.2: A 141 ASN : amide:sc= 1.1 K(o=1.6,f=-4.6!) USER MOD Set 4.1: A 111 ASN : amide:sc= 0.677 X(o=1.1,f=0.92) USER MOD Set 4.2: A 115 THR OG1 : rot 180:sc= 0.41 USER MOD Single : A 84 SER OG : rot 35:sc= 0.0487 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0417 USER MOD Single : A 88 GLN : amide:sc= 1.01 K(o=1,f=-0.005) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 96 SER OG : rot 38:sc= 1.15 USER MOD Single : A 98 SER OG : rot 180:sc= 0.02 USER MOD Single : A 100 SER OG : rot 29:sc= 1.28 USER MOD Single : A 103 TYR OH : rot -18:sc= 1.09 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0.825 K(o=0.82,f=-0.37) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.687 K(o=0.69,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ 157:sc= 1.04 (180deg=0.669) USER MOD Single : A 137 SER OG : rot 91:sc= 0.219 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -0.135 K(o=-0.14,f=-2) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 366 SER OG : rot 78:sc= 1.22 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-2.7!) USER MOD Single : A 371 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ -125:sc= 0.0455 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 3.447 -1.072 0.151 1.00 0.00 N ATOM 2 CA SER A 84 3.322 0.390 -0.076 1.00 0.00 C ATOM 3 C SER A 84 2.528 0.685 -1.362 1.00 0.00 C ATOM 4 O SER A 84 2.657 -0.035 -2.356 1.00 0.00 O ATOM 5 CB SER A 84 4.705 1.067 -0.117 1.00 0.00 C ATOM 6 OG SER A 84 5.423 0.841 1.096 1.00 0.00 O ATOM 0 HA SER A 84 2.769 0.809 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.278 0.680 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.585 2.138 -0.278 1.00 0.00 H new ATOM 0 HG SER A 84 5.216 -0.054 1.437 1.00 0.00 H new ATOM 12 N SER A 85 1.700 1.735 -1.345 1.00 0.00 N ATOM 13 CA SER A 85 0.909 2.186 -2.490 1.00 0.00 C ATOM 14 C SER A 85 1.814 2.562 -3.675 1.00 0.00 C ATOM 15 O SER A 85 2.931 3.051 -3.472 1.00 0.00 O ATOM 16 CB SER A 85 0.062 3.397 -2.062 1.00 0.00 C ATOM 17 OG SER A 85 -0.443 3.242 -0.736 1.00 0.00 O ATOM 0 H SER A 85 1.559 2.308 -0.513 1.00 0.00 H new ATOM 0 HA SER A 85 0.259 1.374 -2.816 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.666 4.303 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.769 3.524 -2.756 1.00 0.00 H new ATOM 0 HG SER A 85 -0.975 4.029 -0.494 1.00 0.00 H new ATOM 23 N GLU A 86 1.312 2.388 -4.898 1.00 0.00 N ATOM 24 CA GLU A 86 1.976 2.768 -6.148 1.00 0.00 C ATOM 25 C GLU A 86 1.001 3.422 -7.143 1.00 0.00 C ATOM 26 O GLU A 86 1.445 3.950 -8.162 1.00 0.00 O ATOM 27 CB GLU A 86 2.657 1.543 -6.791 1.00 0.00 C ATOM 28 CG GLU A 86 3.822 0.976 -5.972 1.00 0.00 C ATOM 29 CD GLU A 86 4.559 -0.136 -6.744 1.00 0.00 C ATOM 30 OE1 GLU A 86 4.153 -1.321 -6.653 1.00 0.00 O ATOM 31 OE2 GLU A 86 5.552 0.167 -7.452 1.00 0.00 O ATOM 0 H GLU A 86 0.398 1.963 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 86 2.736 3.509 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.912 0.760 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.023 1.821 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.521 1.776 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.447 0.580 -5.028 1.00 0.00 H new ATOM 38 N PHE A 87 -0.307 3.432 -6.852 1.00 0.00 N ATOM 39 CA PHE A 87 -1.355 4.144 -7.591 1.00 0.00 C ATOM 40 C PHE A 87 -1.383 3.770 -9.076 1.00 0.00 C ATOM 41 O PHE A 87 -1.580 4.614 -9.955 1.00 0.00 O ATOM 42 CB PHE A 87 -1.278 5.651 -7.298 1.00 0.00 C ATOM 43 CG PHE A 87 -1.015 5.969 -5.836 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.050 5.938 -4.885 1.00 0.00 C ATOM 45 CD2 PHE A 87 0.288 6.294 -5.427 1.00 0.00 C ATOM 46 CE1 PHE A 87 -1.789 6.253 -3.542 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.551 6.614 -4.084 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.492 6.614 -3.145 1.00 0.00 C ATOM 0 H PHE A 87 -0.680 2.917 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.330 3.816 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.488 6.092 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.213 6.121 -7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.051 5.670 -5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.092 6.298 -6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.586 6.218 -2.814 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.556 6.860 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.297 6.891 -2.119 1.00 0.00 H new ATOM 58 N GLN A 88 -1.139 2.483 -9.344 1.00 0.00 N ATOM 59 CA GLN A 88 -1.166 1.902 -10.676 1.00 0.00 C ATOM 60 C GLN A 88 -2.616 1.559 -11.070 1.00 0.00 C ATOM 61 O GLN A 88 -3.565 1.874 -10.348 1.00 0.00 O ATOM 62 CB GLN A 88 -0.245 0.659 -10.714 1.00 0.00 C ATOM 63 CG GLN A 88 1.212 0.931 -10.296 1.00 0.00 C ATOM 64 CD GLN A 88 1.931 1.921 -11.219 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.192 1.628 -12.383 1.00 0.00 O ATOM 66 NE2 GLN A 88 2.268 3.107 -10.734 1.00 0.00 N ATOM 0 H GLN A 88 -0.912 1.805 -8.617 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.791 2.620 -11.406 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.661 -0.106 -10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.250 0.250 -11.724 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.224 1.319 -9.278 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.762 -0.010 -10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.048 3.344 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.747 3.784 -11.328 1.00 0.00 H new ATOM 75 N ILE A 89 -2.792 0.909 -12.226 1.00 0.00 N ATOM 76 CA ILE A 89 -4.076 0.350 -12.651 1.00 0.00 C ATOM 77 C ILE A 89 -4.629 -0.531 -11.520 1.00 0.00 C ATOM 78 O ILE A 89 -3.871 -1.234 -10.843 1.00 0.00 O ATOM 79 CB ILE A 89 -3.921 -0.405 -13.995 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.360 0.547 -15.085 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.264 -1.017 -14.439 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.106 -0.115 -16.446 1.00 0.00 C ATOM 0 H ILE A 89 -2.039 0.756 -12.897 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.799 1.144 -12.837 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.213 -1.221 -13.852 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.059 1.372 -15.222 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.425 0.978 -14.726 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.130 -1.542 -15.385 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.612 -1.719 -13.681 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.001 -0.224 -14.566 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.715 0.626 -17.144 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.382 -0.921 -16.329 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.041 -0.521 -16.833 1.00 0.00 H new ATOM 94 N ASN A 90 -5.954 -0.499 -11.342 1.00 0.00 N ATOM 95 CA ASN A 90 -6.699 -1.179 -10.281 1.00 0.00 C ATOM 96 C ASN A 90 -6.318 -0.706 -8.867 1.00 0.00 C ATOM 97 O ASN A 90 -6.626 -1.391 -7.889 1.00 0.00 O ATOM 98 CB ASN A 90 -6.689 -2.715 -10.440 1.00 0.00 C ATOM 99 CG ASN A 90 -7.388 -3.195 -11.711 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.437 -2.681 -12.094 1.00 0.00 O ATOM 101 ND2 ASN A 90 -6.834 -4.185 -12.396 1.00 0.00 N ATOM 0 H ASN A 90 -6.565 0.028 -11.966 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.738 -0.875 -10.405 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.657 -3.066 -10.446 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.174 -3.166 -9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.278 -4.526 -13.248 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.963 -4.606 -12.071 1.00 0.00 H new ATOM 108 N GLU A 91 -5.696 0.468 -8.723 1.00 0.00 N ATOM 109 CA GLU A 91 -5.471 1.138 -7.444 1.00 0.00 C ATOM 110 C GLU A 91 -6.059 2.555 -7.548 1.00 0.00 C ATOM 111 O GLU A 91 -6.540 2.953 -8.615 1.00 0.00 O ATOM 112 CB GLU A 91 -3.980 1.053 -7.053 1.00 0.00 C ATOM 113 CG GLU A 91 -3.707 1.542 -5.623 1.00 0.00 C ATOM 114 CD GLU A 91 -2.439 0.911 -5.020 1.00 0.00 C ATOM 115 OE1 GLU A 91 -2.516 -0.214 -4.469 1.00 0.00 O ATOM 116 OE2 GLU A 91 -1.361 1.544 -5.096 1.00 0.00 O ATOM 0 H GLU A 91 -5.326 0.991 -9.517 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.986 0.649 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.643 0.021 -7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.392 1.647 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.603 2.627 -5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.563 1.305 -4.991 1.00 0.00 H new ATOM 123 N GLN A 92 -6.120 3.292 -6.436 1.00 0.00 N ATOM 124 CA GLN A 92 -6.853 4.553 -6.375 1.00 0.00 C ATOM 125 C GLN A 92 -6.007 5.706 -6.906 1.00 0.00 C ATOM 126 O GLN A 92 -4.780 5.658 -6.864 1.00 0.00 O ATOM 127 CB GLN A 92 -7.297 4.891 -4.938 1.00 0.00 C ATOM 128 CG GLN A 92 -7.778 3.703 -4.091 1.00 0.00 C ATOM 129 CD GLN A 92 -8.839 2.808 -4.749 1.00 0.00 C ATOM 130 OE1 GLN A 92 -9.572 3.225 -5.643 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.949 1.559 -4.329 1.00 0.00 N ATOM 0 H GLN A 92 -5.666 3.032 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.737 4.425 -6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.463 5.367 -4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.101 5.626 -4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.915 3.087 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.182 4.087 -3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.340 1.215 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.643 0.940 -4.747 1.00 0.00 H new ATOM 140 N VAL A 93 -6.678 6.783 -7.297 1.00 0.00 N ATOM 141 CA VAL A 93 -6.116 8.075 -7.643 1.00 0.00 C ATOM 142 C VAL A 93 -7.142 9.149 -7.290 1.00 0.00 C ATOM 143 O VAL A 93 -8.300 8.842 -7.016 1.00 0.00 O ATOM 144 CB VAL A 93 -5.780 8.159 -9.153 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.450 7.468 -9.477 1.00 0.00 C ATOM 146 CG2 VAL A 93 -6.922 7.644 -10.044 1.00 0.00 C ATOM 0 H VAL A 93 -7.694 6.772 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.190 8.221 -7.088 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.664 9.218 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.249 7.548 -10.545 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.645 7.948 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.509 6.416 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.632 7.726 -11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.127 6.600 -9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.818 8.240 -9.868 1.00 0.00 H new ATOM 156 N LEU A 94 -6.717 10.408 -7.299 1.00 0.00 N ATOM 157 CA LEU A 94 -7.593 11.563 -7.222 1.00 0.00 C ATOM 158 C LEU A 94 -7.817 11.962 -8.671 1.00 0.00 C ATOM 159 O LEU A 94 -6.848 12.056 -9.426 1.00 0.00 O ATOM 160 CB LEU A 94 -6.892 12.730 -6.509 1.00 0.00 C ATOM 161 CG LEU A 94 -6.792 12.598 -4.985 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.025 13.798 -4.430 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.169 12.517 -4.317 1.00 0.00 C ATOM 0 H LEU A 94 -5.729 10.655 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.509 11.336 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.886 12.832 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.425 13.651 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.267 11.669 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.949 13.712 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.025 13.822 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.553 14.717 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.045 12.424 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.736 13.421 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.707 11.648 -4.696 1.00 0.00 H new ATOM 175 N ALA A 95 -9.062 12.224 -9.060 1.00 0.00 N ATOM 176 CA ALA A 95 -9.424 12.599 -10.420 1.00 0.00 C ATOM 177 C ALA A 95 -10.502 13.682 -10.378 1.00 0.00 C ATOM 178 O ALA A 95 -11.381 13.640 -9.515 1.00 0.00 O ATOM 179 CB ALA A 95 -9.924 11.356 -11.173 1.00 0.00 C ATOM 0 H ALA A 95 -9.860 12.180 -8.426 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.555 12.997 -10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.196 11.633 -12.192 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.135 10.605 -11.200 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.796 10.948 -10.663 1.00 0.00 H new ATOM 185 N SER A 96 -10.438 14.639 -11.303 1.00 0.00 N ATOM 186 CA SER A 96 -11.408 15.719 -11.418 1.00 0.00 C ATOM 187 C SER A 96 -12.746 15.156 -11.899 1.00 0.00 C ATOM 188 O SER A 96 -12.866 14.698 -13.040 1.00 0.00 O ATOM 189 CB SER A 96 -10.845 16.811 -12.339 1.00 0.00 C ATOM 190 OG SER A 96 -9.957 17.620 -11.589 1.00 0.00 O ATOM 0 H SER A 96 -9.698 14.683 -12.003 1.00 0.00 H new ATOM 0 HA SER A 96 -11.591 16.182 -10.448 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.325 16.362 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.654 17.416 -12.748 1.00 0.00 H new ATOM 0 HG SER A 96 -9.445 17.058 -10.971 1.00 0.00 H new ATOM 196 N TRP A 97 -13.726 15.146 -10.995 1.00 0.00 N ATOM 197 CA TRP A 97 -15.099 14.753 -11.281 1.00 0.00 C ATOM 198 C TRP A 97 -15.822 15.913 -11.964 1.00 0.00 C ATOM 199 O TRP A 97 -15.427 17.078 -11.820 1.00 0.00 O ATOM 200 CB TRP A 97 -15.767 14.341 -9.970 1.00 0.00 C ATOM 201 CG TRP A 97 -17.075 13.609 -10.035 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.419 12.605 -10.871 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.245 13.820 -9.195 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.701 12.172 -10.582 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.244 12.859 -9.516 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.524 14.712 -8.149 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.442 12.756 -8.786 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.719 14.637 -7.410 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.661 13.636 -7.705 1.00 0.00 C ATOM 0 H TRP A 97 -13.580 15.418 -10.023 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.135 13.902 -11.961 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.063 13.715 -9.421 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.920 15.243 -9.378 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.788 12.201 -11.649 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.185 11.435 -11.094 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.802 15.477 -7.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.182 12.015 -9.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.912 15.346 -6.619 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.553 13.540 -7.104 1.00 0.00 H new ATOM 220 N SER A 98 -16.918 15.599 -12.662 1.00 0.00 N ATOM 221 CA SER A 98 -17.730 16.540 -13.429 1.00 0.00 C ATOM 222 C SER A 98 -18.281 17.696 -12.575 1.00 0.00 C ATOM 223 O SER A 98 -18.641 18.743 -13.117 1.00 0.00 O ATOM 224 CB SER A 98 -18.884 15.767 -14.088 1.00 0.00 C ATOM 225 OG SER A 98 -18.416 14.569 -14.701 1.00 0.00 O ATOM 0 H SER A 98 -17.275 14.645 -12.708 1.00 0.00 H new ATOM 0 HA SER A 98 -17.090 16.999 -14.183 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.638 15.525 -13.339 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.367 16.396 -14.835 1.00 0.00 H new ATOM 0 HG SER A 98 -19.170 14.095 -15.111 1.00 0.00 H new ATOM 231 N ASP A 99 -18.322 17.517 -11.249 1.00 0.00 N ATOM 232 CA ASP A 99 -18.618 18.562 -10.274 1.00 0.00 C ATOM 233 C ASP A 99 -17.779 19.820 -10.506 1.00 0.00 C ATOM 234 O ASP A 99 -18.361 20.888 -10.700 1.00 0.00 O ATOM 235 CB ASP A 99 -18.361 18.024 -8.867 1.00 0.00 C ATOM 236 CG ASP A 99 -18.153 19.142 -7.841 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.108 19.887 -7.529 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.005 19.263 -7.346 1.00 0.00 O ATOM 0 H ASP A 99 -18.144 16.611 -10.816 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.665 18.842 -10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.203 17.404 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.481 17.381 -8.882 1.00 0.00 H new ATOM 243 N SER A 100 -16.441 19.694 -10.497 1.00 0.00 N ATOM 244 CA SER A 100 -15.462 20.787 -10.617 1.00 0.00 C ATOM 245 C SER A 100 -14.026 20.316 -10.355 1.00 0.00 C ATOM 246 O SER A 100 -13.119 20.721 -11.087 1.00 0.00 O ATOM 247 CB SER A 100 -15.736 21.932 -9.616 1.00 0.00 C ATOM 248 OG SER A 100 -16.758 22.805 -10.058 1.00 0.00 O ATOM 0 H SER A 100 -15.992 18.783 -10.401 1.00 0.00 H new ATOM 0 HA SER A 100 -15.569 21.139 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.017 21.508 -8.652 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.819 22.501 -9.460 1.00 0.00 H new ATOM 0 HG SER A 100 -17.387 22.312 -10.625 1.00 0.00 H new ATOM 254 N ARG A 101 -13.791 19.497 -9.315 1.00 0.00 N ATOM 255 CA ARG A 101 -12.428 19.185 -8.849 1.00 0.00 C ATOM 256 C ARG A 101 -12.280 17.749 -8.358 1.00 0.00 C ATOM 257 O ARG A 101 -13.119 16.907 -8.674 1.00 0.00 O ATOM 258 CB ARG A 101 -11.951 20.251 -7.833 1.00 0.00 C ATOM 259 CG ARG A 101 -12.507 20.199 -6.391 1.00 0.00 C ATOM 260 CD ARG A 101 -14.027 20.381 -6.259 1.00 0.00 C ATOM 261 NE ARG A 101 -14.377 20.774 -4.878 1.00 0.00 N ATOM 262 CZ ARG A 101 -15.603 21.049 -4.408 1.00 0.00 C ATOM 263 NH1 ARG A 101 -16.690 20.860 -5.150 1.00 0.00 N ATOM 264 NH2 ARG A 101 -15.734 21.522 -3.171 1.00 0.00 N ATOM 0 H ARG A 101 -14.529 19.038 -8.780 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.756 19.239 -9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.865 20.187 -7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.190 21.231 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.234 19.240 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.014 20.973 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.371 21.142 -6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.536 19.453 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.606 20.843 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.603 20.498 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.611 21.077 -4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.908 21.672 -2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.661 21.735 -2.802 1.00 0.00 H new ATOM 278 N PHE A 102 -11.162 17.459 -7.688 1.00 0.00 N ATOM 279 CA PHE A 102 -10.743 16.115 -7.324 1.00 0.00 C ATOM 280 C PHE A 102 -11.677 15.417 -6.334 1.00 0.00 C ATOM 281 O PHE A 102 -12.134 16.022 -5.363 1.00 0.00 O ATOM 282 CB PHE A 102 -9.314 16.153 -6.745 1.00 0.00 C ATOM 283 CG PHE A 102 -8.213 16.630 -7.686 1.00 0.00 C ATOM 284 CD1 PHE A 102 -8.337 16.469 -9.077 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.050 17.246 -7.179 1.00 0.00 C ATOM 286 CE1 PHE A 102 -7.336 16.906 -9.948 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.032 17.676 -8.057 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.171 17.489 -9.446 1.00 0.00 C ATOM 0 H PHE A 102 -10.508 18.178 -7.378 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.776 15.529 -8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.318 16.800 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -9.058 15.151 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.222 15.999 -9.480 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.938 17.389 -6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.464 16.792 -11.014 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.145 18.149 -7.663 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.382 17.794 -10.118 1.00 0.00 H new ATOM 298 N TYR A 103 -11.849 14.112 -6.567 1.00 0.00 N ATOM 299 CA TYR A 103 -12.480 13.106 -5.716 1.00 0.00 C ATOM 300 C TYR A 103 -11.687 11.812 -5.968 1.00 0.00 C ATOM 301 O TYR A 103 -11.047 11.701 -7.020 1.00 0.00 O ATOM 302 CB TYR A 103 -13.961 12.887 -6.090 1.00 0.00 C ATOM 303 CG TYR A 103 -14.864 14.082 -5.866 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.874 15.102 -6.826 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.684 14.186 -4.726 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.670 16.241 -6.660 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.516 15.311 -4.561 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.492 16.361 -5.515 1.00 0.00 C ATOM 309 OH TYR A 103 -17.252 17.474 -5.331 1.00 0.00 O ATOM 0 H TYR A 103 -11.518 13.698 -7.438 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.467 13.417 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -14.016 12.602 -7.141 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.345 12.047 -5.511 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.258 15.008 -7.708 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.675 13.405 -3.980 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.657 17.025 -7.403 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.173 15.374 -3.707 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.914 18.198 -5.898 1.00 0.00 H new ATOM 319 N PRO A 104 -11.695 10.825 -5.058 1.00 0.00 N ATOM 320 CA PRO A 104 -11.030 9.552 -5.307 1.00 0.00 C ATOM 321 C PRO A 104 -11.758 8.753 -6.404 1.00 0.00 C ATOM 322 O PRO A 104 -12.979 8.848 -6.558 1.00 0.00 O ATOM 323 CB PRO A 104 -10.987 8.849 -3.946 1.00 0.00 C ATOM 324 CG PRO A 104 -12.184 9.437 -3.194 1.00 0.00 C ATOM 325 CD PRO A 104 -12.270 10.865 -3.722 1.00 0.00 C ATOM 0 HA PRO A 104 -10.019 9.669 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.073 7.767 -4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.051 9.045 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.098 8.879 -3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.030 9.417 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.303 11.211 -3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.721 11.554 -3.080 1.00 0.00 H new ATOM 333 N ALA A 105 -10.995 7.956 -7.154 1.00 0.00 N ATOM 334 CA ALA A 105 -11.435 7.102 -8.251 1.00 0.00 C ATOM 335 C ALA A 105 -10.450 5.938 -8.390 1.00 0.00 C ATOM 336 O ALA A 105 -9.296 6.066 -7.986 1.00 0.00 O ATOM 337 CB ALA A 105 -11.424 7.934 -9.540 1.00 0.00 C ATOM 0 H ALA A 105 -9.989 7.888 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.437 6.715 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.750 7.315 -10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.100 8.782 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.414 8.297 -9.730 1.00 0.00 H new ATOM 343 N LYS A 106 -10.864 4.828 -9.006 1.00 0.00 N ATOM 344 CA LYS A 106 -9.985 3.702 -9.335 1.00 0.00 C ATOM 345 C LYS A 106 -9.371 3.954 -10.718 1.00 0.00 C ATOM 346 O LYS A 106 -10.094 4.338 -11.638 1.00 0.00 O ATOM 347 CB LYS A 106 -10.813 2.399 -9.260 1.00 0.00 C ATOM 348 CG LYS A 106 -10.026 1.138 -9.671 1.00 0.00 C ATOM 349 CD LYS A 106 -10.595 -0.164 -9.071 1.00 0.00 C ATOM 350 CE LYS A 106 -12.030 -0.474 -9.532 1.00 0.00 C ATOM 351 NZ LYS A 106 -12.534 -1.757 -8.966 1.00 0.00 N ATOM 0 H LYS A 106 -11.832 4.684 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.160 3.602 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.181 2.271 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.687 2.497 -9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.025 1.058 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.988 1.249 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.946 -0.996 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.578 -0.092 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.691 0.339 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.059 -0.522 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.503 -1.927 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.919 -2.537 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.532 -1.703 -7.927 1.00 0.00 H new ATOM 365 N VAL A 107 -8.070 3.734 -10.900 1.00 0.00 N ATOM 366 CA VAL A 107 -7.426 3.773 -12.215 1.00 0.00 C ATOM 367 C VAL A 107 -7.900 2.562 -13.012 1.00 0.00 C ATOM 368 O VAL A 107 -7.825 1.438 -12.510 1.00 0.00 O ATOM 369 CB VAL A 107 -5.890 3.708 -12.069 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.174 3.784 -13.425 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.315 4.839 -11.223 1.00 0.00 C ATOM 0 H VAL A 107 -7.428 3.522 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.689 4.702 -12.721 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.716 2.749 -11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.096 3.735 -13.271 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.490 2.949 -14.050 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.427 4.723 -13.918 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.232 4.733 -11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.560 5.797 -11.681 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.741 4.797 -10.221 1.00 0.00 H new ATOM 381 N THR A 108 -8.268 2.764 -14.274 1.00 0.00 N ATOM 382 CA THR A 108 -8.585 1.687 -15.198 1.00 0.00 C ATOM 383 C THR A 108 -7.519 1.599 -16.309 1.00 0.00 C ATOM 384 O THR A 108 -7.240 0.496 -16.781 1.00 0.00 O ATOM 385 CB THR A 108 -10.031 1.857 -15.695 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.247 3.182 -16.145 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.039 1.603 -14.567 1.00 0.00 C ATOM 0 H THR A 108 -8.355 3.693 -14.686 1.00 0.00 H new ATOM 0 HA THR A 108 -8.548 0.718 -14.700 1.00 0.00 H new ATOM 0 HB THR A 108 -10.173 1.138 -16.502 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.171 3.274 -16.459 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.052 1.731 -14.949 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.918 0.587 -14.193 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.865 2.311 -13.757 1.00 0.00 H new ATOM 395 N ALA A 109 -6.878 2.713 -16.705 1.00 0.00 N ATOM 396 CA ALA A 109 -5.700 2.723 -17.577 1.00 0.00 C ATOM 397 C ALA A 109 -4.837 3.953 -17.301 1.00 0.00 C ATOM 398 O ALA A 109 -5.317 4.950 -16.763 1.00 0.00 O ATOM 399 CB ALA A 109 -6.102 2.655 -19.057 1.00 0.00 C ATOM 0 H ALA A 109 -7.173 3.647 -16.420 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.110 1.834 -17.355 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.206 2.664 -19.678 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.661 1.738 -19.240 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.724 3.515 -19.305 1.00 0.00 H new ATOM 405 N VAL A 110 -3.581 3.899 -17.735 1.00 0.00 N ATOM 406 CA VAL A 110 -2.637 5.008 -17.747 1.00 0.00 C ATOM 407 C VAL A 110 -1.924 4.911 -19.105 1.00 0.00 C ATOM 408 O VAL A 110 -1.638 3.796 -19.558 1.00 0.00 O ATOM 409 CB VAL A 110 -1.654 4.861 -16.565 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.708 6.066 -16.462 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.368 4.709 -15.216 1.00 0.00 C ATOM 0 H VAL A 110 -3.176 3.039 -18.105 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.115 5.981 -17.631 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.089 3.953 -16.776 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -0.031 5.926 -15.619 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.129 6.154 -17.381 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.291 6.975 -16.313 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.628 4.610 -14.422 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.984 5.588 -15.030 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.000 3.821 -15.237 1.00 0.00 H new ATOM 421 N ASN A 111 -1.642 6.045 -19.754 1.00 0.00 N ATOM 422 CA ASN A 111 -1.151 6.086 -21.133 1.00 0.00 C ATOM 423 C ASN A 111 0.115 6.937 -21.174 1.00 0.00 C ATOM 424 O ASN A 111 0.117 8.058 -20.661 1.00 0.00 O ATOM 425 CB ASN A 111 -2.199 6.711 -22.071 1.00 0.00 C ATOM 426 CG ASN A 111 -3.571 6.038 -22.059 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.691 4.817 -21.985 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.635 6.824 -22.132 1.00 0.00 N ATOM 0 H ASN A 111 -1.749 6.968 -19.332 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.948 5.068 -21.465 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.325 7.760 -21.801 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.811 6.688 -23.089 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.571 6.418 -22.127 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.519 7.836 -22.193 1.00 0.00 H new ATOM 435 N LYS A 112 1.168 6.445 -21.835 1.00 0.00 N ATOM 436 CA LYS A 112 2.467 7.126 -21.933 1.00 0.00 C ATOM 437 C LYS A 112 2.346 8.514 -22.574 1.00 0.00 C ATOM 438 O LYS A 112 3.164 9.390 -22.297 1.00 0.00 O ATOM 439 CB LYS A 112 3.438 6.212 -22.709 1.00 0.00 C ATOM 440 CG LYS A 112 4.888 6.712 -22.842 1.00 0.00 C ATOM 441 CD LYS A 112 5.599 6.917 -21.492 1.00 0.00 C ATOM 442 CE LYS A 112 7.043 7.431 -21.646 1.00 0.00 C ATOM 443 NZ LYS A 112 7.970 6.423 -22.233 1.00 0.00 N ATOM 0 H LYS A 112 1.143 5.550 -22.324 1.00 0.00 H new ATOM 0 HA LYS A 112 2.858 7.303 -20.931 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.456 5.238 -22.220 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.036 6.058 -23.710 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.456 5.997 -23.437 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.889 7.654 -23.390 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.029 7.625 -20.891 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.611 5.973 -20.947 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.039 8.320 -22.276 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.419 7.734 -20.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.923 6.831 -22.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.001 5.582 -21.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.633 6.151 -23.178 1.00 0.00 H new ATOM 457 N ASP A 113 1.321 8.726 -23.408 1.00 0.00 N ATOM 458 CA ASP A 113 1.047 10.011 -24.057 1.00 0.00 C ATOM 459 C ASP A 113 0.822 11.150 -23.049 1.00 0.00 C ATOM 460 O ASP A 113 1.067 12.315 -23.377 1.00 0.00 O ATOM 461 CB ASP A 113 -0.179 9.872 -24.961 1.00 0.00 C ATOM 462 CG ASP A 113 -0.461 11.176 -25.731 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.340 11.526 -26.632 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.479 11.849 -25.446 1.00 0.00 O ATOM 0 H ASP A 113 0.650 7.998 -23.654 1.00 0.00 H new ATOM 0 HA ASP A 113 1.927 10.274 -24.644 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.021 9.057 -25.668 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.049 9.608 -24.359 1.00 0.00 H new ATOM 469 N GLY A 114 0.394 10.823 -21.822 1.00 0.00 N ATOM 470 CA GLY A 114 0.150 11.777 -20.744 1.00 0.00 C ATOM 471 C GLY A 114 -1.298 11.756 -20.257 1.00 0.00 C ATOM 472 O GLY A 114 -1.751 12.731 -19.649 1.00 0.00 O ATOM 0 H GLY A 114 0.204 9.859 -21.549 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.814 11.553 -19.909 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.399 12.781 -21.089 1.00 0.00 H new ATOM 476 N THR A 115 -2.045 10.684 -20.537 1.00 0.00 N ATOM 477 CA THR A 115 -3.472 10.588 -20.264 1.00 0.00 C ATOM 478 C THR A 115 -3.754 9.412 -19.327 1.00 0.00 C ATOM 479 O THR A 115 -2.895 8.571 -19.054 1.00 0.00 O ATOM 480 CB THR A 115 -4.266 10.575 -21.587 1.00 0.00 C ATOM 481 OG1 THR A 115 -3.747 9.605 -22.475 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.202 11.934 -22.290 1.00 0.00 C ATOM 0 H THR A 115 -1.661 9.844 -20.969 1.00 0.00 H new ATOM 0 HA THR A 115 -3.821 11.470 -19.727 1.00 0.00 H new ATOM 0 HB THR A 115 -5.299 10.340 -21.330 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.266 9.612 -23.307 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.771 11.891 -23.218 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.625 12.700 -21.640 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.164 12.180 -22.512 1.00 0.00 H new ATOM 490 N TYR A 116 -4.977 9.382 -18.815 1.00 0.00 N ATOM 491 CA TYR A 116 -5.451 8.523 -17.750 1.00 0.00 C ATOM 492 C TYR A 116 -6.862 8.087 -18.107 1.00 0.00 C ATOM 493 O TYR A 116 -7.600 8.855 -18.728 1.00 0.00 O ATOM 494 CB TYR A 116 -5.529 9.365 -16.461 1.00 0.00 C ATOM 495 CG TYR A 116 -4.367 9.209 -15.505 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.336 8.112 -14.624 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.327 10.157 -15.490 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.289 7.982 -13.696 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.277 10.034 -14.563 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.262 8.950 -13.654 1.00 0.00 C ATOM 501 OH TYR A 116 -1.252 8.850 -12.746 1.00 0.00 O ATOM 0 H TYR A 116 -5.710 10.001 -19.160 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.794 7.664 -17.615 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.608 10.416 -16.739 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.447 9.105 -15.934 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.119 7.369 -14.661 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.335 10.979 -16.191 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.270 7.143 -13.016 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.483 10.766 -14.545 1.00 0.00 H new ATOM 0 HH TYR A 116 -0.390 8.943 -13.204 1.00 0.00 H new ATOM 511 N THR A 117 -7.265 6.924 -17.614 1.00 0.00 N ATOM 512 CA THR A 117 -8.639 6.458 -17.661 1.00 0.00 C ATOM 513 C THR A 117 -8.953 6.016 -16.235 1.00 0.00 C ATOM 514 O THR A 117 -8.145 5.326 -15.605 1.00 0.00 O ATOM 515 CB THR A 117 -8.825 5.345 -18.711 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.119 5.661 -19.906 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.306 5.160 -19.064 1.00 0.00 C ATOM 0 H THR A 117 -6.630 6.266 -17.161 1.00 0.00 H new ATOM 0 HA THR A 117 -9.335 7.233 -17.982 1.00 0.00 H new ATOM 0 HB THR A 117 -8.435 4.424 -18.277 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.247 4.943 -20.561 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.407 4.369 -19.807 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.863 4.889 -18.167 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.702 6.091 -19.470 1.00 0.00 H new ATOM 525 N VAL A 118 -10.083 6.470 -15.696 1.00 0.00 N ATOM 526 CA VAL A 118 -10.444 6.266 -14.301 1.00 0.00 C ATOM 527 C VAL A 118 -11.926 5.932 -14.228 1.00 0.00 C ATOM 528 O VAL A 118 -12.708 6.376 -15.072 1.00 0.00 O ATOM 529 CB VAL A 118 -10.108 7.516 -13.457 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.597 7.755 -13.311 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.752 8.800 -14.012 1.00 0.00 C ATOM 0 H VAL A 118 -10.779 6.995 -16.225 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.867 5.439 -13.888 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.528 7.298 -12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.426 8.647 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.138 6.895 -12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.154 7.893 -14.297 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.482 9.645 -13.379 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.395 8.977 -15.026 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.836 8.688 -14.024 1.00 0.00 H new ATOM 541 N LYS A 119 -12.306 5.196 -13.185 1.00 0.00 N ATOM 542 CA LYS A 119 -13.679 4.857 -12.852 1.00 0.00 C ATOM 543 C LYS A 119 -13.959 5.415 -11.465 1.00 0.00 C ATOM 544 O LYS A 119 -13.275 5.057 -10.508 1.00 0.00 O ATOM 545 CB LYS A 119 -13.834 3.330 -12.922 1.00 0.00 C ATOM 546 CG LYS A 119 -15.213 2.833 -12.456 1.00 0.00 C ATOM 547 CD LYS A 119 -15.352 1.330 -12.733 1.00 0.00 C ATOM 548 CE LYS A 119 -16.737 0.826 -12.291 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.952 -0.612 -12.618 1.00 0.00 N ATOM 0 H LYS A 119 -11.634 4.806 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.400 5.287 -13.548 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.666 3.002 -13.948 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.062 2.866 -12.308 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.338 3.028 -11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.000 3.381 -12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.210 1.136 -13.796 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.573 0.783 -12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.847 0.971 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.509 1.425 -12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.899 -0.903 -12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.875 -0.750 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.233 -1.189 -12.136 1.00 0.00 H new ATOM 563 N PHE A 120 -14.935 6.309 -11.352 1.00 0.00 N ATOM 564 CA PHE A 120 -15.448 6.765 -10.068 1.00 0.00 C ATOM 565 C PHE A 120 -16.348 5.666 -9.505 1.00 0.00 C ATOM 566 O PHE A 120 -17.051 4.993 -10.264 1.00 0.00 O ATOM 567 CB PHE A 120 -16.238 8.066 -10.258 1.00 0.00 C ATOM 568 CG PHE A 120 -15.387 9.235 -10.709 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.556 9.906 -9.792 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.424 9.658 -12.051 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.770 10.993 -10.209 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.640 10.744 -12.467 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.808 11.411 -11.550 1.00 0.00 C ATOM 0 H PHE A 120 -15.394 6.740 -12.154 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.631 6.965 -9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.027 7.898 -10.991 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.726 8.325 -9.318 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.523 9.583 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.057 9.146 -12.761 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.138 11.507 -9.500 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.675 11.070 -13.496 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.200 12.242 -11.876 1.00 0.00 H new ATOM 583 N TYR A 121 -16.375 5.520 -8.177 1.00 0.00 N ATOM 584 CA TYR A 121 -17.084 4.431 -7.493 1.00 0.00 C ATOM 585 C TYR A 121 -18.605 4.493 -7.687 1.00 0.00 C ATOM 586 O TYR A 121 -19.285 3.475 -7.550 1.00 0.00 O ATOM 587 CB TYR A 121 -16.734 4.446 -5.997 1.00 0.00 C ATOM 588 CG TYR A 121 -15.257 4.644 -5.722 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.328 3.635 -6.043 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.808 5.848 -5.149 1.00 0.00 C ATOM 591 CE1 TYR A 121 -12.952 3.840 -5.837 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.437 6.057 -4.932 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.500 5.063 -5.288 1.00 0.00 C ATOM 594 OH TYR A 121 -11.177 5.296 -5.097 1.00 0.00 O ATOM 0 H TYR A 121 -15.901 6.160 -7.539 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.753 3.496 -7.944 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.296 5.242 -5.509 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.056 3.507 -5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.675 2.697 -6.450 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.520 6.613 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.244 3.067 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.098 6.982 -4.491 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.684 4.451 -5.159 1.00 0.00 H new ATOM 604 N ASP A 122 -19.135 5.673 -8.034 1.00 0.00 N ATOM 605 CA ASP A 122 -20.546 5.864 -8.373 1.00 0.00 C ATOM 606 C ASP A 122 -20.955 5.088 -9.636 1.00 0.00 C ATOM 607 O ASP A 122 -22.144 4.829 -9.846 1.00 0.00 O ATOM 608 CB ASP A 122 -20.832 7.357 -8.549 1.00 0.00 C ATOM 609 CG ASP A 122 -22.330 7.627 -8.791 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.149 7.384 -7.872 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.694 8.091 -9.899 1.00 0.00 O ATOM 0 H ASP A 122 -18.586 6.531 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.142 5.467 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.504 7.897 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.253 7.742 -9.388 1.00 0.00 H new ATOM 616 N GLY A 123 -19.982 4.678 -10.464 1.00 0.00 N ATOM 617 CA GLY A 123 -20.208 3.901 -11.678 1.00 0.00 C ATOM 618 C GLY A 123 -20.140 4.795 -12.914 1.00 0.00 C ATOM 619 O GLY A 123 -21.038 4.750 -13.756 1.00 0.00 O ATOM 0 H GLY A 123 -18.997 4.885 -10.299 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.461 3.111 -11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.182 3.415 -11.628 1.00 0.00 H new ATOM 623 N VAL A 124 -19.103 5.633 -13.010 1.00 0.00 N ATOM 624 CA VAL A 124 -18.896 6.578 -14.110 1.00 0.00 C ATOM 625 C VAL A 124 -17.427 6.450 -14.505 1.00 0.00 C ATOM 626 O VAL A 124 -16.577 6.262 -13.635 1.00 0.00 O ATOM 627 CB VAL A 124 -19.275 8.012 -13.655 1.00 0.00 C ATOM 628 CG1 VAL A 124 -19.122 9.041 -14.785 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.716 8.098 -13.128 1.00 0.00 C ATOM 0 H VAL A 124 -18.366 5.673 -12.306 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.529 6.364 -14.971 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.578 8.245 -12.850 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -19.399 10.029 -14.417 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -18.086 9.057 -15.124 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.772 8.768 -15.616 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.931 9.122 -12.823 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.409 7.801 -13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.831 7.432 -12.272 1.00 0.00 H new ATOM 639 N VAL A 125 -17.115 6.540 -15.800 1.00 0.00 N ATOM 640 CA VAL A 125 -15.777 6.317 -16.338 1.00 0.00 C ATOM 641 C VAL A 125 -15.469 7.478 -17.291 1.00 0.00 C ATOM 642 O VAL A 125 -16.373 7.972 -17.974 1.00 0.00 O ATOM 643 CB VAL A 125 -15.718 4.938 -17.043 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.299 4.577 -17.509 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.209 3.794 -16.140 1.00 0.00 C ATOM 0 H VAL A 125 -17.802 6.775 -16.516 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.023 6.294 -15.551 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.378 5.042 -17.904 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.313 3.602 -17.996 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -13.945 5.330 -18.213 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.631 4.543 -16.648 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.147 2.850 -16.682 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.585 3.742 -15.248 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.243 3.978 -15.849 1.00 0.00 H new ATOM 655 N GLN A 126 -14.209 7.921 -17.344 1.00 0.00 N ATOM 656 CA GLN A 126 -13.762 8.967 -18.260 1.00 0.00 C ATOM 657 C GLN A 126 -12.290 8.759 -18.631 1.00 0.00 C ATOM 658 O GLN A 126 -11.544 8.151 -17.857 1.00 0.00 O ATOM 659 CB GLN A 126 -13.989 10.364 -17.633 1.00 0.00 C ATOM 660 CG GLN A 126 -13.250 10.602 -16.298 1.00 0.00 C ATOM 661 CD GLN A 126 -13.413 12.027 -15.748 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.213 12.830 -16.222 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.644 12.370 -14.722 1.00 0.00 N ATOM 0 H GLN A 126 -13.467 7.558 -16.746 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.351 8.908 -19.176 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.672 11.123 -18.348 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.058 10.505 -17.471 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.618 9.892 -15.557 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.189 10.395 -16.438 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -11.982 11.698 -14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.715 13.306 -14.322 1.00 0.00 H new ATOM 672 N THR A 127 -11.874 9.337 -19.761 1.00 0.00 N ATOM 673 CA THR A 127 -10.475 9.443 -20.174 1.00 0.00 C ATOM 674 C THR A 127 -10.122 10.928 -20.045 1.00 0.00 C ATOM 675 O THR A 127 -10.877 11.788 -20.508 1.00 0.00 O ATOM 676 CB THR A 127 -10.272 8.907 -21.605 1.00 0.00 C ATOM 677 OG1 THR A 127 -10.954 7.673 -21.796 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.789 8.694 -21.922 1.00 0.00 C ATOM 0 H THR A 127 -12.520 9.755 -20.431 1.00 0.00 H new ATOM 0 HA THR A 127 -9.817 8.835 -19.553 1.00 0.00 H new ATOM 0 HB THR A 127 -10.681 9.661 -22.277 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.809 7.358 -22.712 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.685 8.316 -22.939 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.258 9.641 -21.831 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.367 7.973 -21.222 1.00 0.00 H new ATOM 686 N VAL A 128 -9.006 11.237 -19.383 1.00 0.00 N ATOM 687 CA VAL A 128 -8.617 12.581 -18.960 1.00 0.00 C ATOM 688 C VAL A 128 -7.080 12.710 -18.975 1.00 0.00 C ATOM 689 O VAL A 128 -6.382 11.770 -19.362 1.00 0.00 O ATOM 690 CB VAL A 128 -9.251 12.867 -17.570 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.720 13.307 -17.671 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.158 11.680 -16.592 1.00 0.00 C ATOM 0 H VAL A 128 -8.322 10.529 -19.117 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.991 13.337 -19.650 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.653 13.686 -17.171 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.113 13.494 -16.672 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.787 14.219 -18.263 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.303 12.520 -18.150 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.621 11.953 -15.644 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.676 10.819 -17.014 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.111 11.427 -16.425 1.00 0.00 H new ATOM 702 N LYS A 129 -6.532 13.868 -18.587 1.00 0.00 N ATOM 703 CA LYS A 129 -5.103 14.198 -18.695 1.00 0.00 C ATOM 704 C LYS A 129 -4.422 14.146 -17.326 1.00 0.00 C ATOM 705 O LYS A 129 -5.099 14.128 -16.300 1.00 0.00 O ATOM 706 CB LYS A 129 -4.976 15.604 -19.310 1.00 0.00 C ATOM 707 CG LYS A 129 -5.549 15.670 -20.734 1.00 0.00 C ATOM 708 CD LYS A 129 -5.418 17.090 -21.310 1.00 0.00 C ATOM 709 CE LYS A 129 -6.048 17.239 -22.707 1.00 0.00 C ATOM 710 NZ LYS A 129 -5.266 16.567 -23.786 1.00 0.00 N ATOM 0 H LYS A 129 -7.084 14.622 -18.178 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.606 13.466 -19.331 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.496 16.323 -18.678 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -3.926 15.897 -19.329 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.023 14.963 -21.375 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.598 15.372 -20.723 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -5.891 17.797 -20.628 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.363 17.357 -21.364 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.056 16.826 -22.688 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -6.142 18.299 -22.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -5.744 16.706 -24.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.311 16.977 -23.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.197 15.549 -23.582 1.00 0.00 H new ATOM 724 N HIS A 130 -3.085 14.212 -17.288 1.00 0.00 N ATOM 725 CA HIS A 130 -2.321 14.385 -16.041 1.00 0.00 C ATOM 726 C HIS A 130 -2.785 15.632 -15.274 1.00 0.00 C ATOM 727 O HIS A 130 -2.935 15.579 -14.057 1.00 0.00 O ATOM 728 CB HIS A 130 -0.812 14.447 -16.353 1.00 0.00 C ATOM 729 CG HIS A 130 0.066 14.879 -15.196 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.179 15.717 -15.314 1.00 0.00 N ATOM 731 CD2 HIS A 130 -0.084 14.531 -13.882 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.664 15.863 -14.068 1.00 0.00 C ATOM 733 NE2 HIS A 130 0.925 15.165 -13.190 1.00 0.00 N ATOM 0 H HIS A 130 -2.500 14.147 -18.121 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.505 13.525 -15.397 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.485 13.463 -16.689 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.656 15.135 -17.184 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.844 13.886 -13.468 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.527 16.458 -13.810 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.083 15.113 -12.184 1.00 0.00 H new ATOM 741 N ILE A 131 -3.115 16.732 -15.965 1.00 0.00 N ATOM 742 CA ILE A 131 -3.655 17.931 -15.312 1.00 0.00 C ATOM 743 C ILE A 131 -5.017 17.705 -14.628 1.00 0.00 C ATOM 744 O ILE A 131 -5.506 18.610 -13.950 1.00 0.00 O ATOM 745 CB ILE A 131 -3.701 19.131 -16.282 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.522 18.850 -17.556 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.264 19.555 -16.610 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.876 20.119 -18.338 1.00 0.00 C ATOM 0 H ILE A 131 -3.017 16.815 -16.977 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.958 18.168 -14.509 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.222 19.951 -15.788 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.958 18.178 -18.203 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.441 18.332 -17.281 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.282 20.403 -17.295 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.751 19.841 -15.692 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.737 18.723 -17.076 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.454 19.852 -19.223 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.466 20.783 -17.706 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.960 20.626 -18.642 1.00 0.00 H new ATOM 760 N HIS A 132 -5.624 16.520 -14.766 1.00 0.00 N ATOM 761 CA HIS A 132 -6.911 16.180 -14.174 1.00 0.00 C ATOM 762 C HIS A 132 -6.813 15.017 -13.172 1.00 0.00 C ATOM 763 O HIS A 132 -7.813 14.723 -12.520 1.00 0.00 O ATOM 764 CB HIS A 132 -7.898 15.775 -15.280 1.00 0.00 C ATOM 765 CG HIS A 132 -8.048 16.712 -16.452 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.181 16.301 -17.781 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.080 18.076 -16.405 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.317 17.430 -18.499 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.254 18.508 -17.699 1.00 0.00 N ATOM 0 H HIS A 132 -5.219 15.756 -15.307 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.254 17.066 -13.639 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.593 14.801 -15.664 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.880 15.645 -14.825 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.987 18.694 -15.524 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.457 17.465 -19.569 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.323 19.480 -18.000 1.00 0.00 H new ATOM 777 N VAL A 133 -5.682 14.303 -13.085 1.00 0.00 N ATOM 778 CA VAL A 133 -5.529 13.090 -12.270 1.00 0.00 C ATOM 779 C VAL A 133 -4.143 13.026 -11.628 1.00 0.00 C ATOM 780 O VAL A 133 -3.138 13.289 -12.288 1.00 0.00 O ATOM 781 CB VAL A 133 -5.788 11.821 -13.119 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.779 10.537 -12.274 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.135 11.864 -13.852 1.00 0.00 C ATOM 0 H VAL A 133 -4.832 14.557 -13.589 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.271 13.132 -11.472 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.970 11.807 -13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.965 9.677 -12.917 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.808 10.426 -11.792 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.557 10.597 -11.513 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.263 10.950 -14.431 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.942 11.949 -13.125 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.158 12.724 -14.522 1.00 0.00 H new ATOM 793 N LYS A 134 -4.066 12.593 -10.364 1.00 0.00 N ATOM 794 CA LYS A 134 -2.801 12.303 -9.681 1.00 0.00 C ATOM 795 C LYS A 134 -3.010 11.197 -8.642 1.00 0.00 C ATOM 796 O LYS A 134 -4.148 10.850 -8.346 1.00 0.00 O ATOM 797 CB LYS A 134 -2.226 13.595 -9.060 1.00 0.00 C ATOM 798 CG LYS A 134 -3.127 14.249 -7.996 1.00 0.00 C ATOM 799 CD LYS A 134 -2.473 15.530 -7.454 1.00 0.00 C ATOM 800 CE LYS A 134 -3.266 16.090 -6.257 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.622 17.304 -5.675 1.00 0.00 N ATOM 0 H LYS A 134 -4.888 12.433 -9.782 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.068 11.938 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.260 13.368 -8.609 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -2.044 14.316 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.099 14.485 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.303 13.549 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.448 15.319 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.422 16.279 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.279 16.335 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.352 15.322 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.334 17.864 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.870 17.016 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.212 17.879 -6.438 1.00 0.00 H new ATOM 815 N ALA A 135 -1.930 10.657 -8.072 1.00 0.00 N ATOM 816 CA ALA A 135 -1.973 9.716 -6.956 1.00 0.00 C ATOM 817 C ALA A 135 -2.763 10.286 -5.765 1.00 0.00 C ATOM 818 O ALA A 135 -2.983 11.494 -5.672 1.00 0.00 O ATOM 819 CB ALA A 135 -0.523 9.421 -6.539 1.00 0.00 C ATOM 0 H ALA A 135 -0.982 10.868 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.482 8.804 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.520 8.719 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.016 8.987 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.036 10.348 -6.235 1.00 0.00 H new ATOM 825 N PHE A 136 -3.136 9.427 -4.804 1.00 0.00 N ATOM 826 CA PHE A 136 -3.696 9.912 -3.534 1.00 0.00 C ATOM 827 C PHE A 136 -2.647 10.698 -2.726 1.00 0.00 C ATOM 828 O PHE A 136 -3.001 11.423 -1.794 1.00 0.00 O ATOM 829 CB PHE A 136 -4.311 8.760 -2.723 1.00 0.00 C ATOM 830 CG PHE A 136 -5.316 9.211 -1.674 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.479 9.908 -2.068 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.099 8.940 -0.309 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.400 10.355 -1.103 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.035 9.366 0.652 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.181 10.075 0.255 1.00 0.00 C ATOM 0 H PHE A 136 -3.062 8.412 -4.879 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.504 10.606 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.801 8.068 -3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.511 8.208 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.662 10.099 -3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.214 8.405 0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.274 10.912 -1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -5.872 9.147 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 136 -7.894 10.405 0.996 1.00 0.00 H new ATOM 845 N SER A 137 -1.367 10.612 -3.101 1.00 0.00 N ATOM 846 CA SER A 137 -0.301 11.447 -2.583 1.00 0.00 C ATOM 847 C SER A 137 -0.575 12.907 -2.954 1.00 0.00 C ATOM 848 O SER A 137 -0.612 13.272 -4.131 1.00 0.00 O ATOM 849 CB SER A 137 1.026 10.963 -3.163 1.00 0.00 C ATOM 850 OG SER A 137 1.150 9.576 -2.906 1.00 0.00 O ATOM 0 H SER A 137 -1.044 9.937 -3.794 1.00 0.00 H new ATOM 0 HA SER A 137 -0.251 11.380 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.063 11.154 -4.235 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.857 11.507 -2.714 1.00 0.00 H new ATOM 0 HG SER A 137 0.772 9.069 -3.655 1.00 0.00 H new ATOM 856 N LYS A 138 -0.782 13.737 -1.925 1.00 0.00 N ATOM 857 CA LYS A 138 -1.171 15.134 -2.086 1.00 0.00 C ATOM 858 C LYS A 138 -0.150 15.916 -2.916 1.00 0.00 C ATOM 859 O LYS A 138 -0.531 16.668 -3.815 1.00 0.00 O ATOM 860 CB LYS A 138 -1.325 15.746 -0.682 1.00 0.00 C ATOM 861 CG LYS A 138 -2.021 17.112 -0.666 1.00 0.00 C ATOM 862 CD LYS A 138 -1.976 17.771 0.725 1.00 0.00 C ATOM 863 CE LYS A 138 -2.566 16.884 1.840 1.00 0.00 C ATOM 864 NZ LYS A 138 -2.580 17.577 3.158 1.00 0.00 N ATOM 0 H LYS A 138 -0.682 13.451 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.114 15.189 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -1.890 15.055 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.338 15.848 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.544 17.769 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -3.059 16.993 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.942 18.013 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -2.524 18.713 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -3.582 16.594 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -1.983 15.966 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -2.984 16.945 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.608 17.831 3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -3.157 18.439 3.091 1.00 0.00 H new ATOM 878 N ASP A 139 1.137 15.735 -2.600 1.00 0.00 N ATOM 879 CA ASP A 139 2.228 16.560 -3.124 1.00 0.00 C ATOM 880 C ASP A 139 2.458 16.398 -4.627 1.00 0.00 C ATOM 881 O ASP A 139 2.482 17.392 -5.354 1.00 0.00 O ATOM 882 CB ASP A 139 3.524 16.240 -2.372 1.00 0.00 C ATOM 883 CG ASP A 139 4.683 17.121 -2.872 1.00 0.00 C ATOM 884 OD1 ASP A 139 4.618 18.363 -2.702 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.662 16.577 -3.434 1.00 0.00 O ATOM 0 H ASP A 139 1.453 15.002 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 139 1.931 17.597 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 139 3.377 16.398 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.777 15.188 -2.507 1.00 0.00 H new ATOM 890 N GLN A 140 2.612 15.157 -5.098 1.00 0.00 N ATOM 891 CA GLN A 140 3.007 14.847 -6.472 1.00 0.00 C ATOM 892 C GLN A 140 2.437 13.499 -6.898 1.00 0.00 C ATOM 893 O GLN A 140 2.073 12.667 -6.065 1.00 0.00 O ATOM 894 CB GLN A 140 4.548 14.820 -6.602 1.00 0.00 C ATOM 895 CG GLN A 140 5.176 16.174 -6.971 1.00 0.00 C ATOM 896 CD GLN A 140 4.763 16.694 -8.357 1.00 0.00 C ATOM 897 OE1 GLN A 140 4.112 16.011 -9.151 1.00 0.00 O ATOM 898 NE2 GLN A 140 5.131 17.924 -8.688 1.00 0.00 N ATOM 0 H GLN A 140 2.463 14.327 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 140 2.609 15.626 -7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.975 14.480 -5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.824 14.086 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.895 16.911 -6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.262 16.081 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.669 18.489 -8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 140 4.876 18.305 -9.599 1.00 0.00 H new ATOM 907 N ASN A 141 2.382 13.286 -8.216 1.00 0.00 N ATOM 908 CA ASN A 141 1.966 12.013 -8.795 1.00 0.00 C ATOM 909 C ASN A 141 3.086 10.973 -8.678 1.00 0.00 C ATOM 910 O ASN A 141 4.223 11.323 -8.373 1.00 0.00 O ATOM 911 CB ASN A 141 1.615 12.200 -10.282 1.00 0.00 C ATOM 912 CG ASN A 141 0.580 11.189 -10.758 1.00 0.00 C ATOM 913 OD1 ASN A 141 0.236 10.259 -10.039 1.00 0.00 O ATOM 914 ND2 ASN A 141 0.058 11.341 -11.955 1.00 0.00 N ATOM 0 H ASN A 141 2.625 13.994 -8.909 1.00 0.00 H new ATOM 0 HA ASN A 141 1.091 11.663 -8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.235 13.209 -10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.519 12.102 -10.883 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.641 10.680 -12.294 1.00 0.00 H new ATOM 0 HD22 ASN A 141 0.352 12.119 -12.545 1.00 0.00 H new ATOM 921 N ILE A 142 2.785 9.711 -9.001 1.00 0.00 N ATOM 922 CA ILE A 142 3.735 8.604 -8.977 1.00 0.00 C ATOM 923 C ILE A 142 3.887 7.971 -10.382 1.00 0.00 C ATOM 924 O ILE A 142 4.879 7.287 -10.626 1.00 0.00 O ATOM 925 CB ILE A 142 3.315 7.602 -7.865 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.186 8.258 -6.463 1.00 0.00 C ATOM 927 CG2 ILE A 142 4.269 6.400 -7.764 1.00 0.00 C ATOM 928 CD1 ILE A 142 4.455 8.885 -5.873 1.00 0.00 C ATOM 0 H ILE A 142 1.849 9.428 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 142 4.733 8.961 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 142 2.329 7.254 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.420 9.031 -6.519 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.825 7.502 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.930 5.732 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.279 5.863 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.275 6.752 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 142 4.231 9.308 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 142 5.225 8.120 -5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.813 9.673 -6.535 1.00 0.00 H new ATOM 940 N VAL A 143 2.971 8.213 -11.334 1.00 0.00 N ATOM 941 CA VAL A 143 3.062 7.684 -12.702 1.00 0.00 C ATOM 942 C VAL A 143 2.358 8.663 -13.661 1.00 0.00 C ATOM 943 O VAL A 143 2.090 9.800 -13.283 1.00 0.00 O ATOM 944 CB VAL A 143 2.533 6.218 -12.703 1.00 0.00 C ATOM 945 CG1 VAL A 143 1.012 6.097 -12.519 1.00 0.00 C ATOM 946 CG2 VAL A 143 2.988 5.414 -13.933 1.00 0.00 C ATOM 0 H VAL A 143 2.142 8.785 -11.174 1.00 0.00 H new ATOM 0 HA VAL A 143 4.086 7.619 -13.069 1.00 0.00 H new ATOM 0 HB VAL A 143 2.994 5.777 -11.819 1.00 0.00 H new ATOM 0 HG11 VAL A 143 0.727 5.045 -12.531 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.725 6.540 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.505 6.620 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.587 4.402 -13.875 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.623 5.897 -14.839 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.077 5.372 -13.958 1.00 0.00 H new ATOM 956 N GLY A 144 2.099 8.288 -14.919 1.00 0.00 N ATOM 957 CA GLY A 144 1.251 9.039 -15.849 1.00 0.00 C ATOM 958 C GLY A 144 2.008 10.148 -16.575 1.00 0.00 C ATOM 959 O GLY A 144 1.797 10.356 -17.769 1.00 0.00 O ATOM 0 H GLY A 144 2.482 7.435 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 144 0.828 8.353 -16.583 1.00 0.00 H new ATOM 0 HA3 GLY A 144 0.415 9.474 -15.301 1.00 0.00 H new ATOM 963 N ASN A 145 2.928 10.822 -15.880 1.00 0.00 N ATOM 964 CA ASN A 145 3.849 11.790 -16.471 1.00 0.00 C ATOM 965 C ASN A 145 5.178 11.781 -15.716 1.00 0.00 C ATOM 966 O ASN A 145 6.233 11.684 -16.343 1.00 0.00 O ATOM 967 CB ASN A 145 3.205 13.189 -16.458 1.00 0.00 C ATOM 968 CG ASN A 145 4.026 14.260 -17.178 1.00 0.00 C ATOM 969 OD1 ASN A 145 4.989 13.990 -17.893 1.00 0.00 O ATOM 970 ND2 ASN A 145 3.654 15.519 -17.006 1.00 0.00 N ATOM 0 H ASN A 145 3.054 10.707 -14.874 1.00 0.00 H new ATOM 0 HA ASN A 145 4.053 11.516 -17.506 1.00 0.00 H new ATOM 0 HB2 ASN A 145 2.220 13.128 -16.921 1.00 0.00 H new ATOM 0 HB3 ASN A 145 3.052 13.497 -15.424 1.00 0.00 H new ATOM 0 HD21 ASN A 145 4.167 16.270 -17.468 1.00 0.00 H new ATOM 0 HD22 ASN A 145 2.854 15.738 -16.412 1.00 0.00 H new ATOM 977 N ALA A 146 5.145 11.800 -14.374 1.00 0.00 N ATOM 978 CA ALA A 146 6.355 11.790 -13.556 1.00 0.00 C ATOM 979 C ALA A 146 6.126 11.130 -12.195 1.00 0.00 C ATOM 980 O ALA A 146 4.992 10.855 -11.801 1.00 0.00 O ATOM 981 CB ALA A 146 6.847 13.234 -13.384 1.00 0.00 C ATOM 0 H ALA A 146 4.280 11.823 -13.833 1.00 0.00 H new ATOM 0 HA ALA A 146 7.113 11.195 -14.065 1.00 0.00 H new ATOM 0 HB1 ALA A 146 7.751 13.240 -12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 146 7.066 13.663 -14.362 1.00 0.00 H new ATOM 0 HB3 ALA A 146 6.074 13.826 -12.893 1.00 0.00 H new ATOM 987 N ARG A 147 7.235 10.866 -11.497 1.00 0.00 N ATOM 988 CA ARG A 147 7.263 10.216 -10.190 1.00 0.00 C ATOM 989 C ARG A 147 7.284 11.293 -9.093 1.00 0.00 C ATOM 990 O ARG A 147 7.512 12.476 -9.363 1.00 0.00 O ATOM 991 CB ARG A 147 8.500 9.296 -10.088 1.00 0.00 C ATOM 992 CG ARG A 147 8.434 7.986 -10.898 1.00 0.00 C ATOM 993 CD ARG A 147 8.370 8.105 -12.428 1.00 0.00 C ATOM 994 NE ARG A 147 9.541 8.819 -12.983 1.00 0.00 N ATOM 995 CZ ARG A 147 9.726 9.162 -14.266 1.00 0.00 C ATOM 996 NH1 ARG A 147 8.840 8.810 -15.194 1.00 0.00 N ATOM 997 NH2 ARG A 147 10.802 9.861 -14.613 1.00 0.00 N ATOM 0 H ARG A 147 8.165 11.108 -11.840 1.00 0.00 H new ATOM 0 HA ARG A 147 6.373 9.600 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.375 9.858 -10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.656 9.044 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 147 9.308 7.387 -10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 147 7.558 7.428 -10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 147 8.313 7.109 -12.866 1.00 0.00 H new ATOM 0 HD3 ARG A 147 7.458 8.630 -12.712 1.00 0.00 H new ATOM 0 HE ARG A 147 10.278 9.075 -12.326 1.00 0.00 H new ATOM 0 HH11 ARG A 147 8.012 8.275 -14.932 1.00 0.00 H new ATOM 0 HH12 ARG A 147 8.989 9.075 -16.168 1.00 0.00 H new ATOM 0 HH21 ARG A 147 11.483 10.134 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 147 10.947 10.124 -15.588 1.00 0.00 H new ATOM 1011 N GLY A 200 7.099 10.855 -7.849 1.00 0.00 N ATOM 1012 CA GLY A 200 7.077 11.679 -6.645 1.00 0.00 C ATOM 1013 C GLY A 200 7.303 10.788 -5.426 1.00 0.00 C ATOM 1014 O GLY A 200 8.052 9.809 -5.512 1.00 0.00 O ATOM 0 H GLY A 200 6.953 9.866 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 200 7.850 12.445 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 200 6.121 12.196 -6.561 1.00 0.00 H new ATOM 1018 N SER A 201 6.657 11.110 -4.305 1.00 0.00 N ATOM 1019 CA SER A 201 6.818 10.410 -3.038 1.00 0.00 C ATOM 1020 C SER A 201 5.447 10.265 -2.373 1.00 0.00 C ATOM 1021 O SER A 201 4.549 11.086 -2.598 1.00 0.00 O ATOM 1022 CB SER A 201 7.821 11.206 -2.191 1.00 0.00 C ATOM 1023 OG SER A 201 8.340 10.422 -1.125 1.00 0.00 O ATOM 0 H SER A 201 5.993 11.883 -4.255 1.00 0.00 H new ATOM 0 HA SER A 201 7.211 9.402 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 201 8.640 11.551 -2.823 1.00 0.00 H new ATOM 0 HB3 SER A 201 7.334 12.094 -1.788 1.00 0.00 H new ATOM 0 HG SER A 201 8.977 10.956 -0.606 1.00 0.00 H new ATOM 1029 N ARG A 363 5.257 9.185 -1.605 1.00 0.00 N ATOM 1030 CA ARG A 363 3.946 8.805 -1.080 1.00 0.00 C ATOM 1031 C ARG A 363 3.475 9.819 -0.034 1.00 0.00 C ATOM 1032 O ARG A 363 4.265 10.270 0.800 1.00 0.00 O ATOM 1033 CB ARG A 363 4.003 7.370 -0.520 1.00 0.00 C ATOM 1034 CG ARG A 363 2.600 6.809 -0.215 1.00 0.00 C ATOM 1035 CD ARG A 363 2.641 5.317 0.147 1.00 0.00 C ATOM 1036 NE ARG A 363 3.366 5.075 1.412 1.00 0.00 N ATOM 1037 CZ ARG A 363 2.843 5.063 2.648 1.00 0.00 C ATOM 1038 NH1 ARG A 363 1.541 5.261 2.843 1.00 0.00 N ATOM 1039 NH2 ARG A 363 3.635 4.851 3.695 1.00 0.00 N ATOM 0 H ARG A 363 6.009 8.552 -1.332 1.00 0.00 H new ATOM 0 HA ARG A 363 3.212 8.815 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 363 4.504 6.721 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 363 4.602 7.360 0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 363 2.157 7.369 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 363 1.956 6.954 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 363 1.623 4.937 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 363 3.121 4.761 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 363 4.368 4.899 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.925 5.425 2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 363 1.159 5.249 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 363 4.634 4.699 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 363 3.244 4.841 4.637 1.00 0.00 H new ATOM 1053 N ALA A 364 2.180 10.134 -0.054 1.00 0.00 N ATOM 1054 CA ALA A 364 1.474 10.942 0.937 1.00 0.00 C ATOM 1055 C ALA A 364 -0.002 10.503 0.919 1.00 0.00 C ATOM 1056 O ALA A 364 -0.334 9.475 0.322 1.00 0.00 O ATOM 1057 CB ALA A 364 1.668 12.435 0.608 1.00 0.00 C ATOM 0 H ALA A 364 1.564 9.815 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 364 1.863 10.796 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 364 1.142 13.041 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.731 12.677 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 364 1.269 12.644 -0.384 1.00 0.00 H new ATOM 1063 N HIS A 365 -0.899 11.289 1.515 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.342 11.067 1.464 1.00 0.00 C ATOM 1065 C HIS A 365 -3.070 12.410 1.443 1.00 0.00 C ATOM 1066 O HIS A 365 -2.464 13.444 1.737 1.00 0.00 O ATOM 1067 CB HIS A 365 -2.790 10.211 2.662 1.00 0.00 C ATOM 1068 CG HIS A 365 -2.685 10.920 3.997 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -1.522 11.040 4.768 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -3.711 11.550 4.641 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -1.881 11.741 5.860 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -3.186 12.058 5.809 1.00 0.00 N ATOM 0 H HIS A 365 -0.637 12.113 2.056 1.00 0.00 H new ATOM 0 HA HIS A 365 -2.593 10.525 0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -3.823 9.900 2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -2.185 9.305 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -4.733 11.634 4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -1.213 12.011 6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -3.700 12.585 6.515 1.00 0.00 H new ATOM 1080 N SER A 366 -4.363 12.387 1.108 1.00 0.00 N ATOM 1081 CA SER A 366 -5.184 13.575 0.884 1.00 0.00 C ATOM 1082 C SER A 366 -6.534 13.439 1.610 1.00 0.00 C ATOM 1083 O SER A 366 -6.742 12.472 2.351 1.00 0.00 O ATOM 1084 CB SER A 366 -5.347 13.776 -0.628 1.00 0.00 C ATOM 1085 OG SER A 366 -4.093 13.857 -1.279 1.00 0.00 O ATOM 0 H SER A 366 -4.880 11.517 0.982 1.00 0.00 H new ATOM 0 HA SER A 366 -4.700 14.459 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 366 -5.922 12.950 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 366 -5.915 14.687 -0.816 1.00 0.00 H new ATOM 0 HG SER A 366 -3.718 12.957 -1.380 1.00 0.00 H new ATOM 1091 N SER A 367 -7.452 14.393 1.399 1.00 0.00 N ATOM 1092 CA SER A 367 -8.688 14.517 2.180 1.00 0.00 C ATOM 1093 C SER A 367 -9.944 14.716 1.313 1.00 0.00 C ATOM 1094 O SER A 367 -11.031 14.935 1.851 1.00 0.00 O ATOM 1095 CB SER A 367 -8.518 15.674 3.181 1.00 0.00 C ATOM 1096 OG SER A 367 -7.286 15.589 3.893 1.00 0.00 O ATOM 0 H SER A 367 -7.355 15.105 0.675 1.00 0.00 H new ATOM 0 HA SER A 367 -8.850 13.576 2.706 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.564 16.624 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 367 -9.347 15.665 3.889 1.00 0.00 H new ATOM 0 HG SER A 367 -7.216 16.342 4.516 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.833 14.627 -0.019 1.00 0.00 N ATOM 1103 CA HIS A 368 -10.898 14.942 -0.983 1.00 0.00 C ATOM 1104 C HIS A 368 -11.983 13.850 -1.068 1.00 0.00 C ATOM 1105 O HIS A 368 -12.629 13.701 -2.107 1.00 0.00 O ATOM 1106 CB HIS A 368 -10.282 15.185 -2.374 1.00 0.00 C ATOM 1107 CG HIS A 368 -9.111 16.129 -2.410 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -7.822 15.818 -1.969 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -9.129 17.412 -2.874 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -7.090 16.925 -2.187 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -7.849 17.896 -2.726 1.00 0.00 N ATOM 0 H HIS A 368 -8.971 14.324 -0.471 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.394 15.845 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -9.965 14.226 -2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.059 15.573 -3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -9.979 17.942 -3.277 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -6.038 17.021 -1.961 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -7.531 18.831 -2.981 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.136 13.023 -0.027 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.107 11.932 0.012 1.00 0.00 C ATOM 1121 C LEU A 369 -14.519 12.498 -0.179 1.00 0.00 C ATOM 1122 O LEU A 369 -14.831 13.597 0.298 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.027 11.167 1.347 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.645 10.592 1.724 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.758 9.816 3.040 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.062 9.671 0.646 1.00 0.00 C ATOM 0 H LEU A 369 -11.578 13.097 0.824 1.00 0.00 H new ATOM 0 HA LEU A 369 -12.877 11.235 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.348 11.837 2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.742 10.345 1.314 1.00 0.00 H new ATOM 0 HG LEU A 369 -10.966 11.439 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.783 9.409 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.101 10.486 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -12.471 9.000 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.090 9.300 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -11.736 8.830 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -10.945 10.228 -0.284 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.383 11.729 -0.848 1.00 0.00 N HETATM 1139 CA M2L A 370 -16.763 12.120 -1.141 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.384 11.157 -2.174 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.330 10.643 -3.176 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.709 9.334 -3.887 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.879 9.566 -4.845 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.589 10.713 -5.752 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -18.762 11.598 -5.999 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -16.875 10.347 -7.015 1.00 0.00 C HETATM 1147 C M2L A 370 -17.603 12.118 0.145 1.00 0.00 C HETATM 1148 O M2L A 370 -17.222 11.502 1.140 1.00 0.00 O HETATM 0 HM2B M2L A 370 -15.917 9.889 -6.771 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -17.481 9.641 -7.584 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -19.564 11.019 -6.457 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -19.109 12.014 -5.053 1.00 0.00 H new HETATM 0 HN M2L A 370 -14.974 10.918 -1.311 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -16.707 11.244 -7.611 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -18.472 12.409 -6.668 1.00 0.00 H new HETATM 0 HEA M2L A 370 -18.060 8.666 -5.433 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.788 9.764 -4.277 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.850 8.950 -4.438 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.979 8.578 -3.150 1.00 0.00 H new HETATM 0 HBA M2L A 370 -17.838 10.312 -1.657 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.182 11.667 -2.714 1.00 0.00 H new HETATM 0 HA M2L A 370 -16.755 13.128 -1.556 1.00 0.00 H new ATOM 1164 N SER A 371 -18.784 12.747 0.107 1.00 0.00 N ATOM 1165 CA SER A 371 -19.751 12.738 1.207 1.00 0.00 C ATOM 1166 C SER A 371 -20.323 11.335 1.470 1.00 0.00 C ATOM 1167 O SER A 371 -20.679 10.999 2.604 1.00 0.00 O ATOM 1168 CB SER A 371 -20.865 13.745 0.884 1.00 0.00 C ATOM 1169 OG SER A 371 -21.281 13.641 -0.476 1.00 0.00 O ATOM 0 H SER A 371 -19.098 13.284 -0.702 1.00 0.00 H new ATOM 0 HA SER A 371 -19.243 13.029 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 371 -21.717 13.571 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 371 -20.512 14.757 1.082 1.00 0.00 H new ATOM 0 HG SER A 371 -21.992 14.293 -0.651 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.371 10.492 0.430 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.874 9.114 0.499 1.00 0.00 C ATOM 1177 C LYS A 372 -19.847 8.130 1.083 1.00 0.00 C ATOM 1178 O LYS A 372 -20.174 6.954 1.248 1.00 0.00 O ATOM 1179 CB LYS A 372 -21.328 8.652 -0.903 1.00 0.00 C ATOM 1180 CG LYS A 372 -22.361 9.561 -1.602 1.00 0.00 C ATOM 1181 CD LYS A 372 -23.645 9.766 -0.783 1.00 0.00 C ATOM 1182 CE LYS A 372 -24.687 10.634 -1.511 1.00 0.00 C ATOM 1183 NZ LYS A 372 -25.320 9.945 -2.667 1.00 0.00 N ATOM 0 H LYS A 372 -20.054 10.755 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.724 9.115 1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -20.449 8.573 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -21.751 7.651 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -21.906 10.531 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -22.620 9.128 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -24.084 8.795 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -23.392 10.233 0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -25.462 10.929 -0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -24.208 11.549 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -26.011 10.581 -3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -24.589 9.686 -3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -25.804 9.086 -2.337 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.616 8.571 1.370 1.00 0.00 N ATOM 1198 CA LYS A 373 -17.515 7.727 1.850 1.00 0.00 C ATOM 1199 C LYS A 373 -16.835 8.401 3.046 1.00 0.00 C ATOM 1200 O LYS A 373 -17.147 9.545 3.388 1.00 0.00 O ATOM 1201 CB LYS A 373 -16.514 7.437 0.710 1.00 0.00 C ATOM 1202 CG LYS A 373 -17.146 6.659 -0.462 1.00 0.00 C ATOM 1203 CD LYS A 373 -16.115 6.096 -1.459 1.00 0.00 C ATOM 1204 CE LYS A 373 -15.355 4.891 -0.870 1.00 0.00 C ATOM 1205 NZ LYS A 373 -14.438 4.253 -1.859 1.00 0.00 N ATOM 0 H LYS A 373 -18.351 9.551 1.272 1.00 0.00 H new ATOM 0 HA LYS A 373 -17.912 6.767 2.180 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -16.112 8.379 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -15.674 6.866 1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -17.739 5.836 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -17.832 7.317 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -16.622 5.794 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -15.405 6.878 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -14.779 5.217 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -16.073 4.151 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -14.661 3.240 -1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -14.559 4.706 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -13.454 4.368 -1.544 1.00 0.00 H new ATOM 1219 N GLY A 374 -15.907 7.696 3.690 1.00 0.00 N ATOM 1220 CA GLY A 374 -15.144 8.166 4.836 1.00 0.00 C ATOM 1221 C GLY A 374 -14.301 7.018 5.378 1.00 0.00 C ATOM 1222 O GLY A 374 -14.170 5.984 4.681 1.00 0.00 O ATOM 1223 OXT GLY A 374 -13.777 7.151 6.506 1.00 0.00 O ATOM 0 H GLY A 374 -15.659 6.746 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -14.503 8.999 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -15.817 8.536 5.609 1.00 0.00 H new TER 1227 GLY A 374