USER MOD reduce.3.24.130724 H: found=0, std=0, add=1063, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1066 hydrogens (3 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 28 SER OG : rot -112:sc= 0.711 USER MOD Set 1.2: B 562 LYS NZ :NH3+ -165:sc= 0.664 (180deg=-0.000623) USER MOD Set 2.1: A 71 SER OG : rot -7:sc= 0.64 USER MOD Set 2.2: A 90 LYS NZ :NH3+ -112:sc= 0.716 (180deg=-0.502) USER MOD Set 3.1: A 60 ASN : amide:sc= 0.407 X(o=0.82,f=1) USER MOD Set 3.2: A 62 SER OG : rot -160:sc= 0.408 USER MOD Set 4.1: A 57 ASN : amide:sc= 0.837 K(o=-1.7,f=-12!) USER MOD Set 4.2: A 64 ASN : amide:sc= -2.51! C(o=-1.7!,f=-7.2!) USER MOD Set 5.1: A 55 SER OG : rot -57:sc= 0.7 USER MOD Set 5.2: A 66 TYR OH : rot -103:sc= 0.519 USER MOD Set 6.1: A 50 ASN : amide:sc= 0.966 K(o=2,f=-3.9) USER MOD Set 6.2: A 68 LYS NZ :NH3+ 179:sc= 1 (180deg=-0.12) USER MOD Set 7.1: A 31 ASN : amide:sc= -0.126 K(o=1.3,f=-6.2!) USER MOD Set 7.2: A 34 LYS NZ :NH3+ 153:sc= 1.39 (180deg=-0.395) USER MOD Single : A 29 SER OG : rot 180:sc= -0.388 USER MOD Single : A 30 SER OG : rot 52:sc= 0.119 USER MOD Single : A 32 SER OG : rot 64:sc= 0.261! USER MOD Single : A 37 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-4.9!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0723) USER MOD Single : A 45 TYR OH : rot 30:sc=-0.000493 USER MOD Single : A 47 SER OG : rot 128:sc= 0.162 USER MOD Single : A 58 THR OG1 : rot -116:sc= 0.798 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 0.9 (180deg=0.826) USER MOD Single : A 67 SER OG : rot 160:sc= -3.35! USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.605) USER MOD Single : A 76 TYR OH : rot 130:sc= -0.0797 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0.586 (180deg=-0.109) USER MOD Single : A 84 MET CE :methyl 163:sc= 0 (180deg=-0.689) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 97 MET CE :methyl 170:sc= -0.379 (180deg=-0.557) USER MOD Single : A 100 GLN : amide:sc= -6.62! C(o=-6.6!,f=-7.4!) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0.73) USER MOD Single : A 106 LYS NZ :NH3+ 148:sc= 1.48 (180deg=1.17) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -178:sc= -8.86! (180deg=-9.32!) USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= -0.26 (180deg=-0.283) USER MOD Single : A 118 LYS NZ :NH3+ -177:sc= 0.51 (180deg=0.407) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 125 THR OG1 : rot 66:sc= 1.1 USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= 1.14 (180deg=0.432) USER MOD Single : A 135 LYS NZ :NH3+ 171:sc= -1.45! (180deg=-2.11!) USER MOD Single : A 137 LYS NZ :NH3+ 152:sc= 0.536 (180deg=-0.735!) USER MOD Single : B 553 SER OG : rot 180:sc= -0.29 USER MOD Single : B 555 THR OG1 : rot 45:sc= 0.158 USER MOD Single : B 556 THR OG1 : rot -91:sc= 0.95 USER MOD Single : B 563 SER OG : rot 145:sc= 0.565 USER MOD Single : B 566 SER OG : rot 68:sc= 1.23 USER MOD Single : B 567 TYR OH : rot 80:sc= 0 USER MOD Single : B 569 ASN : amide:sc= -3.27 K(o=-3.3,f=-1.2) USER MOD Single : B 570 TYR OH : rot 180:sc=-0.00131 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 28 -15.744 9.936 9.161 1.00 2.50 N ATOM 2 CA SER A 28 -15.381 8.634 8.561 1.00 2.12 C ATOM 3 C SER A 28 -14.075 8.746 7.772 1.00 1.79 C ATOM 4 O SER A 28 -13.159 7.944 7.953 1.00 2.43 O ATOM 5 CB SER A 28 -16.518 8.146 7.654 1.00 3.05 C ATOM 6 OG SER A 28 -16.235 6.875 7.089 1.00 3.51 O ATOM 0 HA SER A 28 -15.229 7.909 9.361 1.00 2.12 H new ATOM 0 HB2 SER A 28 -17.443 8.090 8.229 1.00 3.05 H new ATOM 0 HB3 SER A 28 -16.682 8.870 6.856 1.00 3.05 H new ATOM 0 HG SER A 28 -16.104 6.969 6.122 1.00 3.51 H new ATOM 14 N SER A 29 -13.978 9.754 6.913 1.00 1.34 N ATOM 15 CA SER A 29 -12.808 9.918 6.063 1.00 1.18 C ATOM 16 C SER A 29 -11.808 10.898 6.676 1.00 1.01 C ATOM 17 O SER A 29 -11.699 12.042 6.232 1.00 1.64 O ATOM 18 CB SER A 29 -13.237 10.396 4.676 1.00 1.37 C ATOM 19 OG SER A 29 -14.233 9.542 4.129 1.00 2.03 O ATOM 0 H SER A 29 -14.695 10.468 6.788 1.00 1.34 H new ATOM 0 HA SER A 29 -12.313 8.951 5.974 1.00 1.18 H new ATOM 0 HB2 SER A 29 -13.621 11.414 4.741 1.00 1.37 H new ATOM 0 HB3 SER A 29 -12.372 10.423 4.013 1.00 1.37 H new ATOM 0 HG SER A 29 -14.493 9.869 3.242 1.00 2.03 H new ATOM 25 N SER A 30 -11.101 10.442 7.708 1.00 0.99 N ATOM 26 CA SER A 30 -10.018 11.212 8.316 1.00 0.94 C ATOM 27 C SER A 30 -9.359 10.425 9.444 1.00 1.16 C ATOM 28 O SER A 30 -9.528 10.735 10.624 1.00 1.79 O ATOM 29 CB SER A 30 -10.521 12.569 8.833 1.00 1.26 C ATOM 30 OG SER A 30 -11.657 12.428 9.673 1.00 1.64 O ATOM 0 H SER A 30 -11.261 9.534 8.144 1.00 0.99 H new ATOM 0 HA SER A 30 -9.273 11.399 7.543 1.00 0.94 H new ATOM 0 HB2 SER A 30 -9.722 13.066 9.383 1.00 1.26 H new ATOM 0 HB3 SER A 30 -10.772 13.209 7.987 1.00 1.26 H new ATOM 0 HG SER A 30 -11.465 11.773 10.376 1.00 1.64 H new ATOM 36 N ASN A 31 -8.611 9.397 9.074 1.00 1.04 N ATOM 37 CA ASN A 31 -7.846 8.619 10.038 1.00 1.33 C ATOM 38 C ASN A 31 -6.674 7.953 9.336 1.00 1.42 C ATOM 39 O ASN A 31 -6.824 6.914 8.692 1.00 2.38 O ATOM 40 CB ASN A 31 -8.731 7.578 10.731 1.00 1.72 C ATOM 41 CG ASN A 31 -7.974 6.745 11.753 1.00 2.16 C ATOM 42 OD1 ASN A 31 -7.506 5.648 11.456 1.00 2.49 O ATOM 43 ND2 ASN A 31 -7.845 7.263 12.965 1.00 2.79 N ATOM 0 H ASN A 31 -8.517 9.081 8.109 1.00 1.04 H new ATOM 0 HA ASN A 31 -7.465 9.289 10.809 1.00 1.33 H new ATOM 0 HB2 ASN A 31 -9.560 8.084 11.225 1.00 1.72 H new ATOM 0 HB3 ASN A 31 -9.163 6.917 9.979 1.00 1.72 H new ATOM 0 HD21 ASN A 31 -7.344 6.748 13.689 1.00 2.79 H new ATOM 0 HD22 ASN A 31 -8.247 8.177 13.175 1.00 2.79 H new ATOM 50 N SER A 32 -5.517 8.587 9.426 1.00 0.84 N ATOM 51 CA SER A 32 -4.320 8.086 8.783 1.00 0.94 C ATOM 52 C SER A 32 -3.212 7.895 9.821 1.00 0.96 C ATOM 53 O SER A 32 -3.489 7.535 10.970 1.00 1.46 O ATOM 54 CB SER A 32 -3.865 9.060 7.714 1.00 1.10 C ATOM 55 OG SER A 32 -2.831 8.513 6.912 1.00 1.41 O ATOM 0 H SER A 32 -5.384 9.456 9.943 1.00 0.84 H new ATOM 0 HA SER A 32 -4.540 7.125 8.319 1.00 0.94 H new ATOM 0 HB2 SER A 32 -4.712 9.329 7.082 1.00 1.10 H new ATOM 0 HB3 SER A 32 -3.514 9.978 8.184 1.00 1.10 H new ATOM 0 HG SER A 32 -3.172 7.734 6.424 1.00 1.41 H new ATOM 61 N GLU A 33 -1.968 8.173 9.408 1.00 0.85 N ATOM 62 CA GLU A 33 -0.788 8.010 10.232 1.00 0.86 C ATOM 63 C GLU A 33 -0.771 6.651 10.913 1.00 0.72 C ATOM 64 O GLU A 33 -0.358 6.505 12.065 1.00 0.83 O ATOM 65 CB GLU A 33 -0.704 9.138 11.238 1.00 1.05 C ATOM 66 CG GLU A 33 -0.353 10.475 10.611 1.00 1.38 C ATOM 67 CD GLU A 33 0.948 10.431 9.832 1.00 1.93 C ATOM 68 OE1 GLU A 33 1.909 9.793 10.306 1.00 2.24 O ATOM 69 OE2 GLU A 33 1.013 11.038 8.743 1.00 2.56 O ATOM 0 H GLU A 33 -1.762 8.523 8.472 1.00 0.85 H new ATOM 0 HA GLU A 33 0.093 8.053 9.592 1.00 0.86 H new ATOM 0 HB2 GLU A 33 -1.659 9.226 11.755 1.00 1.05 H new ATOM 0 HB3 GLU A 33 0.044 8.890 11.991 1.00 1.05 H new ATOM 0 HG2 GLU A 33 -1.160 10.783 9.946 1.00 1.38 H new ATOM 0 HG3 GLU A 33 -0.278 11.230 11.393 1.00 1.38 H new ATOM 76 N LYS A 34 -1.240 5.669 10.176 1.00 0.62 N ATOM 77 CA LYS A 34 -1.354 4.322 10.652 1.00 0.54 C ATOM 78 C LYS A 34 -0.363 3.425 9.920 1.00 0.43 C ATOM 79 O LYS A 34 -0.525 3.143 8.732 1.00 0.53 O ATOM 80 CB LYS A 34 -2.776 3.881 10.441 1.00 0.66 C ATOM 81 CG LYS A 34 -3.518 3.728 11.742 1.00 0.83 C ATOM 82 CD LYS A 34 -4.960 3.386 11.503 1.00 0.84 C ATOM 83 CE LYS A 34 -5.726 3.311 12.812 1.00 0.90 C ATOM 84 NZ LYS A 34 -7.188 3.137 12.604 1.00 1.23 N ATOM 0 H LYS A 34 -1.556 5.793 9.214 1.00 0.62 H new ATOM 0 HA LYS A 34 -1.114 4.257 11.713 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.291 4.608 9.813 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.786 2.932 9.904 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -3.050 2.947 12.342 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.450 4.653 12.314 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -5.413 4.137 10.855 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.029 2.431 10.982 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -5.345 2.480 13.406 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.549 4.221 13.386 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -7.600 2.650 13.425 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -7.636 4.069 12.493 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -7.352 2.570 11.747 1.00 1.23 H new ATOM 98 N GLU A 35 0.667 2.998 10.643 1.00 0.43 N ATOM 99 CA GLU A 35 1.795 2.285 10.052 1.00 0.48 C ATOM 100 C GLU A 35 1.390 0.924 9.497 1.00 0.40 C ATOM 101 O GLU A 35 1.215 -0.039 10.248 1.00 0.55 O ATOM 102 CB GLU A 35 2.894 2.074 11.092 1.00 0.75 C ATOM 103 CG GLU A 35 3.391 3.344 11.750 1.00 1.06 C ATOM 104 CD GLU A 35 4.257 3.046 12.955 1.00 1.35 C ATOM 105 OE1 GLU A 35 3.699 2.683 14.013 1.00 1.86 O ATOM 106 OE2 GLU A 35 5.496 3.144 12.849 1.00 1.83 O ATOM 0 H GLU A 35 0.744 3.135 11.651 1.00 0.43 H new ATOM 0 HA GLU A 35 2.158 2.902 9.230 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.521 1.402 11.865 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.737 1.574 10.615 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.960 3.930 11.028 1.00 1.06 H new ATOM 0 HG3 GLU A 35 2.540 3.953 12.055 1.00 1.06 H new ATOM 113 N TRP A 36 1.239 0.843 8.187 1.00 0.28 N ATOM 114 CA TRP A 36 1.092 -0.440 7.532 1.00 0.25 C ATOM 115 C TRP A 36 2.459 -0.887 7.030 1.00 0.26 C ATOM 116 O TRP A 36 2.980 -0.328 6.064 1.00 0.40 O ATOM 117 CB TRP A 36 0.125 -0.367 6.345 1.00 0.26 C ATOM 118 CG TRP A 36 -1.237 0.206 6.638 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.980 0.973 5.787 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.022 0.065 7.833 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.179 1.302 6.368 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.227 0.768 7.621 1.00 0.27 C ATOM 123 CE3 TRP A 36 -1.835 -0.581 9.059 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.231 0.841 8.578 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -2.834 -0.506 10.013 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.018 0.200 9.766 1.00 1.19 C ATOM 0 H TRP A 36 1.215 1.647 7.560 1.00 0.28 H new ATOM 0 HA TRP A 36 0.685 -1.149 8.253 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.588 0.232 5.561 1.00 0.26 H new ATOM 0 HB3 TRP A 36 -0.004 -1.372 5.944 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.669 1.277 4.799 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.916 1.857 5.932 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -0.926 -1.129 9.258 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.146 1.384 8.390 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -2.699 -1.000 10.964 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -4.779 0.239 10.531 1.00 1.19 H new ATOM 137 N HIS A 37 3.058 -1.860 7.697 1.00 0.25 N ATOM 138 CA HIS A 37 4.343 -2.391 7.251 1.00 0.25 C ATOM 139 C HIS A 37 4.145 -3.203 5.982 1.00 0.24 C ATOM 140 O HIS A 37 3.479 -4.238 6.002 1.00 0.30 O ATOM 141 CB HIS A 37 4.996 -3.259 8.330 1.00 0.29 C ATOM 142 CG HIS A 37 5.475 -2.493 9.525 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.747 -1.979 9.634 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.849 -2.185 10.682 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.881 -1.389 10.806 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.742 -1.499 11.463 1.00 0.56 N ATOM 0 H HIS A 37 2.684 -2.296 8.540 1.00 0.25 H new ATOM 0 HA HIS A 37 5.008 -1.551 7.052 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.279 -4.012 8.658 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.840 -3.792 7.891 1.00 0.29 H new ATOM 0 HD2 HIS A 37 3.831 -2.434 10.944 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.773 -0.898 11.167 1.00 0.51 H new ATOM 0 HE2 HIS A 37 5.557 -1.134 12.397 1.00 0.56 H new ATOM 155 N ILE A 38 4.705 -2.728 4.882 1.00 0.20 N ATOM 156 CA ILE A 38 4.488 -3.362 3.591 1.00 0.20 C ATOM 157 C ILE A 38 5.227 -4.691 3.497 1.00 0.21 C ATOM 158 O ILE A 38 6.364 -4.825 3.958 1.00 0.27 O ATOM 159 CB ILE A 38 4.912 -2.444 2.428 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.266 -1.070 2.591 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.500 -3.055 1.100 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.717 -0.054 1.566 1.00 0.20 C ATOM 0 H ILE A 38 5.311 -1.908 4.856 1.00 0.20 H new ATOM 0 HA ILE A 38 3.418 -3.549 3.507 1.00 0.20 H new ATOM 0 HB ILE A 38 5.996 -2.334 2.443 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.183 -1.179 2.528 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.491 -0.690 3.588 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.805 -2.397 0.286 1.00 0.21 H new ATOM 0 HG22 ILE A 38 4.981 -4.026 0.981 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.418 -3.181 1.078 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.214 0.895 1.749 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.795 0.086 1.643 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.468 -0.410 0.566 1.00 0.20 H new ATOM 174 N VAL A 39 4.557 -5.664 2.905 1.00 0.19 N ATOM 175 CA VAL A 39 5.084 -7.010 2.771 1.00 0.18 C ATOM 176 C VAL A 39 5.186 -7.408 1.307 1.00 0.16 C ATOM 177 O VAL A 39 4.236 -7.227 0.556 1.00 0.18 O ATOM 178 CB VAL A 39 4.169 -8.025 3.483 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.585 -9.449 3.165 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.154 -7.786 4.976 1.00 0.26 C ATOM 0 H VAL A 39 3.628 -5.542 2.502 1.00 0.19 H new ATOM 0 HA VAL A 39 6.075 -7.018 3.226 1.00 0.18 H new ATOM 0 HB VAL A 39 3.155 -7.881 3.110 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.923 -10.145 3.680 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.521 -9.615 2.090 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.611 -9.611 3.496 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.501 -8.516 5.455 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.165 -7.889 5.371 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.786 -6.781 5.180 1.00 0.26 H new ATOM 190 N PRO A 40 6.331 -7.952 0.878 1.00 0.14 N ATOM 191 CA PRO A 40 6.495 -8.472 -0.469 1.00 0.14 C ATOM 192 C PRO A 40 5.982 -9.905 -0.582 1.00 0.16 C ATOM 193 O PRO A 40 6.454 -10.799 0.120 1.00 0.28 O ATOM 194 CB PRO A 40 8.010 -8.431 -0.696 1.00 0.17 C ATOM 195 CG PRO A 40 8.625 -7.976 0.595 1.00 0.15 C ATOM 196 CD PRO A 40 7.562 -8.101 1.653 1.00 0.14 C ATOM 0 HA PRO A 40 5.933 -7.895 -1.203 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.386 -9.414 -0.979 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.262 -7.748 -1.507 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.493 -8.586 0.846 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.972 -6.946 0.516 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.607 -9.063 2.163 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.657 -7.330 2.418 1.00 0.14 H new ATOM 204 N VAL A 41 5.004 -10.113 -1.449 1.00 0.14 N ATOM 205 CA VAL A 41 4.439 -11.440 -1.649 1.00 0.16 C ATOM 206 C VAL A 41 5.074 -12.119 -2.858 1.00 0.18 C ATOM 207 O VAL A 41 5.533 -13.259 -2.783 1.00 0.23 O ATOM 208 CB VAL A 41 2.914 -11.393 -1.869 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.354 -12.803 -1.980 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.207 -10.622 -0.764 1.00 0.20 C ATOM 0 H VAL A 41 4.585 -9.383 -2.025 1.00 0.14 H new ATOM 0 HA VAL A 41 4.649 -12.005 -0.741 1.00 0.16 H new ATOM 0 HB VAL A 41 2.730 -10.864 -2.804 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.276 -12.755 -2.135 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.820 -13.314 -2.823 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.564 -13.351 -1.062 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.134 -10.612 -0.956 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.399 -11.102 0.195 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.580 -9.598 -0.738 1.00 0.20 H new ATOM 220 N SER A 42 5.093 -11.407 -3.974 1.00 0.19 N ATOM 221 CA SER A 42 5.585 -11.963 -5.222 1.00 0.25 C ATOM 222 C SER A 42 7.102 -11.908 -5.277 1.00 0.24 C ATOM 223 O SER A 42 7.741 -11.075 -4.632 1.00 0.35 O ATOM 224 CB SER A 42 4.978 -11.221 -6.408 1.00 0.34 C ATOM 225 OG SER A 42 5.500 -11.685 -7.639 1.00 1.08 O ATOM 0 H SER A 42 4.772 -10.441 -4.040 1.00 0.19 H new ATOM 0 HA SER A 42 5.283 -13.009 -5.275 1.00 0.25 H new ATOM 0 HB2 SER A 42 3.895 -11.348 -6.401 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.175 -10.154 -6.309 1.00 0.34 H new ATOM 0 HG SER A 42 5.088 -11.189 -8.377 1.00 1.08 H new ATOM 231 N LYS A 43 7.650 -12.790 -6.100 1.00 0.28 N ATOM 232 CA LYS A 43 9.065 -13.113 -6.103 1.00 0.31 C ATOM 233 C LYS A 43 9.895 -11.936 -6.594 1.00 0.26 C ATOM 234 O LYS A 43 11.055 -11.781 -6.217 1.00 0.32 O ATOM 235 CB LYS A 43 9.304 -14.334 -7.002 1.00 0.42 C ATOM 236 CG LYS A 43 8.081 -15.232 -7.182 1.00 1.02 C ATOM 237 CD LYS A 43 7.538 -15.755 -5.860 1.00 1.41 C ATOM 238 CE LYS A 43 6.173 -16.400 -6.046 1.00 2.09 C ATOM 239 NZ LYS A 43 6.209 -17.536 -7.001 1.00 2.95 N ATOM 0 H LYS A 43 7.113 -13.309 -6.795 1.00 0.28 H new ATOM 0 HA LYS A 43 9.373 -13.339 -5.082 1.00 0.31 H new ATOM 0 HB2 LYS A 43 9.635 -13.990 -7.982 1.00 0.42 H new ATOM 0 HB3 LYS A 43 10.116 -14.927 -6.581 1.00 0.42 H new ATOM 0 HG2 LYS A 43 7.298 -14.675 -7.697 1.00 1.02 H new ATOM 0 HG3 LYS A 43 8.345 -16.075 -7.821 1.00 1.02 H new ATOM 0 HD2 LYS A 43 8.233 -16.482 -5.440 1.00 1.41 H new ATOM 0 HD3 LYS A 43 7.462 -14.936 -5.145 1.00 1.41 H new ATOM 0 HE2 LYS A 43 5.806 -16.751 -5.082 1.00 2.09 H new ATOM 0 HE3 LYS A 43 5.466 -15.651 -6.403 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 5.267 -17.974 -7.055 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 6.485 -17.190 -7.942 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 6.900 -18.241 -6.675 1.00 2.95 H new ATOM 253 N ASP A 44 9.285 -11.100 -7.422 1.00 0.23 N ATOM 254 CA ASP A 44 9.975 -9.956 -8.007 1.00 0.21 C ATOM 255 C ASP A 44 10.121 -8.837 -6.983 1.00 0.17 C ATOM 256 O ASP A 44 10.917 -7.916 -7.160 1.00 0.18 O ATOM 257 CB ASP A 44 9.212 -9.441 -9.227 1.00 0.25 C ATOM 258 CG ASP A 44 10.120 -8.834 -10.276 1.00 0.39 C ATOM 259 OD1 ASP A 44 11.318 -9.186 -10.322 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.638 -7.996 -11.059 1.00 0.97 O ATOM 0 H ASP A 44 8.310 -11.192 -7.706 1.00 0.23 H new ATOM 0 HA ASP A 44 10.968 -10.281 -8.318 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.650 -10.263 -9.671 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.485 -8.694 -8.906 1.00 0.25 H new ATOM 265 N TYR A 45 9.333 -8.914 -5.914 1.00 0.15 N ATOM 266 CA TYR A 45 9.340 -7.887 -4.879 1.00 0.13 C ATOM 267 C TYR A 45 10.101 -8.359 -3.652 1.00 0.15 C ATOM 268 O TYR A 45 10.115 -7.691 -2.633 1.00 0.15 O ATOM 269 CB TYR A 45 7.911 -7.504 -4.483 1.00 0.12 C ATOM 270 CG TYR A 45 7.089 -7.010 -5.642 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.518 -7.908 -6.534 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.892 -5.653 -5.854 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.780 -7.472 -7.612 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.148 -5.208 -6.933 1.00 0.25 C ATOM 275 CZ TYR A 45 5.594 -6.125 -7.809 1.00 0.27 C ATOM 276 OH TYR A 45 4.864 -5.694 -8.894 1.00 0.35 O ATOM 0 H TYR A 45 8.681 -9.679 -5.743 1.00 0.15 H new ATOM 0 HA TYR A 45 9.841 -7.010 -5.288 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.419 -8.370 -4.039 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.948 -6.731 -3.716 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.655 -8.968 -6.380 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.323 -4.937 -5.170 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.350 -8.185 -8.299 1.00 0.29 H new ATOM 0 HE2 TYR A 45 6.000 -4.150 -7.091 1.00 0.25 H new ATOM 0 HH TYR A 45 4.190 -6.368 -9.123 1.00 0.35 H new ATOM 286 N PHE A 46 10.750 -9.504 -3.751 1.00 0.19 N ATOM 287 CA PHE A 46 11.522 -10.023 -2.624 1.00 0.23 C ATOM 288 C PHE A 46 12.676 -9.088 -2.259 1.00 0.22 C ATOM 289 O PHE A 46 13.276 -9.225 -1.196 1.00 0.26 O ATOM 290 CB PHE A 46 12.050 -11.429 -2.913 1.00 0.28 C ATOM 291 CG PHE A 46 11.107 -12.531 -2.519 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.740 -12.403 -2.705 1.00 0.68 C ATOM 293 CD2 PHE A 46 11.594 -13.704 -1.965 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.879 -13.421 -2.344 1.00 0.74 C ATOM 295 CE2 PHE A 46 10.737 -14.725 -1.603 1.00 0.76 C ATOM 296 CZ PHE A 46 9.378 -14.584 -1.793 1.00 0.57 C ATOM 0 H PHE A 46 10.762 -10.090 -4.586 1.00 0.19 H new ATOM 0 HA PHE A 46 10.846 -10.079 -1.771 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.265 -11.513 -3.978 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.994 -11.567 -2.385 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.343 -11.496 -3.137 1.00 0.68 H new ATOM 0 HD2 PHE A 46 12.657 -13.821 -1.814 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.815 -13.307 -2.493 1.00 0.74 H new ATOM 0 HE2 PHE A 46 11.131 -15.633 -1.171 1.00 0.76 H new ATOM 0 HZ PHE A 46 8.706 -15.381 -1.511 1.00 0.57 H new ATOM 306 N SER A 47 12.977 -8.135 -3.134 1.00 0.19 N ATOM 307 CA SER A 47 14.076 -7.226 -2.914 1.00 0.23 C ATOM 308 C SER A 47 13.630 -5.930 -2.229 1.00 0.17 C ATOM 309 O SER A 47 14.456 -5.059 -1.987 1.00 0.20 O ATOM 310 CB SER A 47 14.738 -6.918 -4.253 1.00 0.31 C ATOM 311 OG SER A 47 13.772 -6.584 -5.240 1.00 1.19 O ATOM 0 H SER A 47 12.468 -7.978 -4.004 1.00 0.19 H new ATOM 0 HA SER A 47 14.788 -7.707 -2.243 1.00 0.23 H new ATOM 0 HB2 SER A 47 15.440 -6.092 -4.133 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.315 -7.782 -4.583 1.00 0.31 H new ATOM 0 HG SER A 47 14.020 -5.737 -5.667 1.00 1.19 H new ATOM 317 N ILE A 48 12.337 -5.803 -1.912 1.00 0.17 N ATOM 318 CA ILE A 48 11.815 -4.580 -1.284 1.00 0.15 C ATOM 319 C ILE A 48 12.610 -4.256 -0.008 1.00 0.17 C ATOM 320 O ILE A 48 12.969 -5.159 0.747 1.00 0.20 O ATOM 321 CB ILE A 48 10.293 -4.703 -0.974 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.501 -4.970 -2.263 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.766 -3.452 -0.296 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.505 -3.888 -2.642 1.00 0.21 C ATOM 0 H ILE A 48 11.636 -6.525 -2.078 1.00 0.17 H new ATOM 0 HA ILE A 48 11.938 -3.759 -1.990 1.00 0.15 H new ATOM 0 HB ILE A 48 10.162 -5.544 -0.293 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.206 -5.097 -3.085 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.966 -5.913 -2.153 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.702 -3.569 -0.093 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.299 -3.294 0.642 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.918 -2.593 -0.949 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.997 -4.168 -3.565 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.771 -3.773 -1.844 1.00 0.21 H new ATOM 0 HD13 ILE A 48 9.031 -2.945 -2.790 1.00 0.21 H new ATOM 336 N PRO A 49 12.921 -2.956 0.205 1.00 0.16 N ATOM 337 CA PRO A 49 13.844 -2.470 1.249 1.00 0.19 C ATOM 338 C PRO A 49 13.610 -2.942 2.680 1.00 0.15 C ATOM 339 O PRO A 49 12.706 -3.723 2.973 1.00 0.21 O ATOM 340 CB PRO A 49 13.667 -0.950 1.223 1.00 0.26 C ATOM 341 CG PRO A 49 12.484 -0.704 0.381 1.00 0.17 C ATOM 342 CD PRO A 49 12.427 -1.832 -0.594 1.00 0.16 C ATOM 0 HA PRO A 49 14.833 -2.862 1.012 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.522 -0.555 2.228 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.549 -0.459 0.812 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.577 -0.665 0.985 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.565 0.253 -0.135 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.414 -2.005 -0.958 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.052 -1.647 -1.467 1.00 0.16 H new ATOM 350 N ASN A 50 14.453 -2.399 3.559 1.00 0.17 N ATOM 351 CA ASN A 50 14.440 -2.679 4.992 1.00 0.22 C ATOM 352 C ASN A 50 13.021 -2.757 5.548 1.00 0.22 C ATOM 353 O ASN A 50 12.650 -3.748 6.188 1.00 0.34 O ATOM 354 CB ASN A 50 15.224 -1.575 5.717 1.00 0.35 C ATOM 355 CG ASN A 50 15.266 -1.766 7.223 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.423 -1.241 7.951 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.251 -2.510 7.701 1.00 0.83 N ATOM 0 H ASN A 50 15.180 -1.737 3.286 1.00 0.17 H new ATOM 0 HA ASN A 50 14.904 -3.651 5.156 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.243 -1.548 5.331 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.772 -0.609 5.492 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.331 -2.666 8.706 1.00 0.83 H new ATOM 0 HD22 ASN A 50 16.930 -2.928 7.064 1.00 0.83 H new ATOM 364 N ASP A 51 12.227 -1.730 5.261 1.00 0.24 N ATOM 365 CA ASP A 51 10.866 -1.629 5.777 1.00 0.34 C ATOM 366 C ASP A 51 10.261 -0.298 5.377 1.00 0.27 C ATOM 367 O ASP A 51 10.755 0.766 5.755 1.00 0.36 O ATOM 368 CB ASP A 51 10.822 -1.767 7.304 1.00 0.51 C ATOM 369 CG ASP A 51 9.402 -1.753 7.846 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.692 -2.775 7.711 1.00 1.90 O ATOM 371 OD2 ASP A 51 8.989 -0.724 8.415 1.00 1.23 O ATOM 0 H ASP A 51 12.507 -0.949 4.668 1.00 0.24 H new ATOM 0 HA ASP A 51 10.290 -2.448 5.346 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.311 -2.697 7.596 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.389 -0.953 7.756 1.00 0.51 H new ATOM 376 N LEU A 52 9.221 -0.366 4.579 1.00 0.22 N ATOM 377 CA LEU A 52 8.500 0.821 4.156 1.00 0.17 C ATOM 378 C LEU A 52 7.218 0.969 4.954 1.00 0.19 C ATOM 379 O LEU A 52 6.502 -0.009 5.181 1.00 0.25 O ATOM 380 CB LEU A 52 8.168 0.732 2.671 1.00 0.18 C ATOM 381 CG LEU A 52 9.372 0.570 1.753 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.922 0.204 0.353 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.204 1.842 1.736 1.00 0.15 C ATOM 0 H LEU A 52 8.849 -1.239 4.204 1.00 0.22 H new ATOM 0 HA LEU A 52 9.133 1.691 4.331 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.494 -0.110 2.514 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.626 1.632 2.380 1.00 0.18 H new ATOM 0 HG LEU A 52 9.995 -0.239 2.136 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.794 0.092 -0.292 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.369 -0.735 0.382 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.279 0.992 -0.040 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.060 1.708 1.075 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.594 2.671 1.377 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.555 2.061 2.744 1.00 0.15 H new ATOM 395 N LEU A 53 6.929 2.187 5.375 1.00 0.16 N ATOM 396 CA LEU A 53 5.697 2.452 6.096 1.00 0.18 C ATOM 397 C LEU A 53 4.655 3.016 5.148 1.00 0.17 C ATOM 398 O LEU A 53 4.834 4.087 4.565 1.00 0.17 O ATOM 399 CB LEU A 53 5.926 3.430 7.251 1.00 0.21 C ATOM 400 CG LEU A 53 6.901 2.957 8.328 1.00 0.26 C ATOM 401 CD1 LEU A 53 7.115 4.054 9.357 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.388 1.689 8.994 1.00 0.30 C ATOM 0 H LEU A 53 7.525 3.002 5.232 1.00 0.16 H new ATOM 0 HA LEU A 53 5.343 1.510 6.513 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.293 4.371 6.841 1.00 0.21 H new ATOM 0 HB3 LEU A 53 4.966 3.641 7.722 1.00 0.21 H new ATOM 0 HG LEU A 53 7.858 2.730 7.858 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.812 3.706 10.120 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.525 4.937 8.867 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.163 4.306 9.823 1.00 0.32 H new ATOM 0 HD21 LEU A 53 7.096 1.367 9.758 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.420 1.886 9.456 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.280 0.903 8.246 1.00 0.30 H new ATOM 414 N TRP A 54 3.583 2.277 4.988 1.00 0.18 N ATOM 415 CA TRP A 54 2.471 2.709 4.173 1.00 0.20 C ATOM 416 C TRP A 54 1.373 3.261 5.069 1.00 0.23 C ATOM 417 O TRP A 54 1.045 2.669 6.096 1.00 0.28 O ATOM 418 CB TRP A 54 1.945 1.529 3.354 1.00 0.22 C ATOM 419 CG TRP A 54 0.821 1.870 2.419 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.462 2.188 2.760 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.871 1.894 0.988 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.201 2.432 1.633 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.412 2.249 0.534 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.873 1.654 0.044 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.719 2.370 -0.814 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.563 1.775 -1.298 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.274 2.130 -1.711 1.00 0.35 C ATOM 0 H TRP A 54 3.456 1.361 5.418 1.00 0.18 H new ATOM 0 HA TRP A 54 2.799 3.492 3.489 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.768 1.110 2.775 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.608 0.750 4.038 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.839 2.240 3.771 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -2.183 2.706 1.617 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.870 1.379 0.356 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.712 2.645 -1.139 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 2.327 1.593 -2.039 1.00 0.41 H new ATOM 0 HH2 TRP A 54 0.063 2.215 -2.767 1.00 0.35 H new ATOM 438 N SER A 55 0.833 4.402 4.703 1.00 0.26 N ATOM 439 CA SER A 55 -0.310 4.951 5.396 1.00 0.33 C ATOM 440 C SER A 55 -1.204 5.679 4.408 1.00 0.25 C ATOM 441 O SER A 55 -0.797 6.674 3.808 1.00 0.22 O ATOM 442 CB SER A 55 0.146 5.911 6.498 1.00 0.44 C ATOM 443 OG SER A 55 0.970 5.249 7.440 1.00 1.11 O ATOM 0 H SER A 55 1.169 4.970 3.925 1.00 0.26 H new ATOM 0 HA SER A 55 -0.870 4.137 5.856 1.00 0.33 H new ATOM 0 HB2 SER A 55 0.691 6.745 6.056 1.00 0.44 H new ATOM 0 HB3 SER A 55 -0.724 6.331 7.003 1.00 0.44 H new ATOM 0 HG SER A 55 0.485 4.486 7.820 1.00 1.11 H new ATOM 449 N PHE A 56 -2.409 5.172 4.203 1.00 0.30 N ATOM 450 CA PHE A 56 -3.361 5.897 3.388 1.00 0.28 C ATOM 451 C PHE A 56 -3.769 7.137 4.154 1.00 0.27 C ATOM 452 O PHE A 56 -4.297 7.034 5.262 1.00 0.39 O ATOM 453 CB PHE A 56 -4.622 5.077 3.101 1.00 0.40 C ATOM 454 CG PHE A 56 -4.401 3.675 2.607 1.00 0.30 C ATOM 455 CD1 PHE A 56 -4.201 2.640 3.502 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.432 3.387 1.256 1.00 0.34 C ATOM 457 CE1 PHE A 56 -4.037 1.341 3.061 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.263 2.090 0.808 1.00 0.34 C ATOM 459 CZ PHE A 56 -4.066 1.067 1.712 1.00 0.27 C ATOM 0 H PHE A 56 -2.742 4.285 4.580 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.890 6.132 2.434 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.215 5.029 4.014 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.218 5.612 2.361 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -4.173 2.850 4.561 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.590 4.183 0.543 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.886 0.543 3.773 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.285 1.878 -0.251 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.935 0.054 1.363 1.00 0.27 H new ATOM 469 N ASN A 57 -3.536 8.300 3.591 1.00 0.24 N ATOM 470 CA ASN A 57 -3.987 9.520 4.221 1.00 0.31 C ATOM 471 C ASN A 57 -5.425 9.743 3.819 1.00 0.33 C ATOM 472 O ASN A 57 -5.700 10.248 2.747 1.00 0.41 O ATOM 473 CB ASN A 57 -3.118 10.712 3.809 1.00 0.45 C ATOM 474 CG ASN A 57 -3.432 11.982 4.584 1.00 1.09 C ATOM 475 OD1 ASN A 57 -4.567 12.215 5.007 1.00 2.12 O ATOM 476 ND2 ASN A 57 -2.421 12.813 4.777 1.00 1.16 N ATOM 0 H ASN A 57 -3.042 8.428 2.708 1.00 0.24 H new ATOM 0 HA ASN A 57 -3.906 9.429 5.304 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -2.069 10.455 3.955 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.254 10.901 2.744 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -2.566 13.682 5.291 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.496 12.585 4.411 1.00 1.16 H new ATOM 483 N THR A 58 -6.331 9.339 4.678 1.00 0.34 N ATOM 484 CA THR A 58 -7.749 9.411 4.384 1.00 0.40 C ATOM 485 C THR A 58 -8.323 10.741 4.838 1.00 0.48 C ATOM 486 O THR A 58 -9.475 11.068 4.563 1.00 0.61 O ATOM 487 CB THR A 58 -8.478 8.258 5.088 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.087 8.210 6.469 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.160 6.930 4.418 1.00 0.48 C ATOM 0 H THR A 58 -6.111 8.953 5.596 1.00 0.34 H new ATOM 0 HA THR A 58 -7.889 9.326 3.306 1.00 0.40 H new ATOM 0 HB THR A 58 -9.552 8.432 5.018 1.00 0.40 H new ATOM 0 HG1 THR A 58 -7.621 7.366 6.648 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.687 6.127 4.933 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.478 6.963 3.376 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.086 6.747 4.464 1.00 0.48 H new ATOM 497 N THR A 59 -7.489 11.507 5.519 1.00 0.50 N ATOM 498 CA THR A 59 -7.873 12.782 6.065 1.00 0.63 C ATOM 499 C THR A 59 -7.775 13.867 4.989 1.00 0.67 C ATOM 500 O THR A 59 -8.618 14.760 4.901 1.00 0.77 O ATOM 501 CB THR A 59 -6.957 13.105 7.256 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.085 12.095 8.266 1.00 0.86 O ATOM 503 CG2 THR A 59 -7.271 14.462 7.842 1.00 0.90 C ATOM 0 H THR A 59 -6.519 11.253 5.706 1.00 0.50 H new ATOM 0 HA THR A 59 -8.907 12.745 6.408 1.00 0.63 H new ATOM 0 HB THR A 59 -5.930 13.124 6.891 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.496 12.309 9.019 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.605 14.659 8.682 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.130 15.229 7.080 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.305 14.479 8.187 1.00 0.90 H new ATOM 511 N ASN A 60 -6.743 13.766 4.158 1.00 0.65 N ATOM 512 CA ASN A 60 -6.578 14.657 3.012 1.00 0.74 C ATOM 513 C ASN A 60 -6.844 13.876 1.726 1.00 0.72 C ATOM 514 O ASN A 60 -6.892 14.426 0.625 1.00 0.84 O ATOM 515 CB ASN A 60 -5.163 15.257 3.006 1.00 0.86 C ATOM 516 CG ASN A 60 -4.927 16.234 1.876 1.00 1.17 C ATOM 517 OD1 ASN A 60 -5.285 17.408 1.964 1.00 1.99 O ATOM 518 ND2 ASN A 60 -4.288 15.766 0.820 1.00 1.69 N ATOM 0 H ASN A 60 -6.003 13.071 4.257 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.291 15.479 3.081 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -4.987 15.763 3.956 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -4.435 14.449 2.935 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -4.074 16.385 0.038 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -4.008 14.786 0.786 1.00 1.69 H new ATOM 525 N LYS A 61 -7.045 12.576 1.919 1.00 0.64 N ATOM 526 CA LYS A 61 -7.248 11.610 0.845 1.00 0.66 C ATOM 527 C LYS A 61 -6.086 11.622 -0.153 1.00 0.65 C ATOM 528 O LYS A 61 -6.197 12.106 -1.277 1.00 0.94 O ATOM 529 CB LYS A 61 -8.596 11.811 0.154 1.00 0.84 C ATOM 530 CG LYS A 61 -9.785 11.628 1.089 1.00 0.96 C ATOM 531 CD LYS A 61 -10.501 12.936 1.372 1.00 0.99 C ATOM 532 CE LYS A 61 -11.112 13.526 0.111 1.00 1.06 C ATOM 533 NZ LYS A 61 -12.094 12.602 -0.522 1.00 1.65 N ATOM 0 H LYS A 61 -7.072 12.156 2.848 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.267 10.619 1.299 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.631 12.812 -0.275 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.681 11.106 -0.673 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.487 10.920 0.647 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.443 11.193 2.028 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -11.284 12.770 2.112 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.799 13.649 1.805 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -11.605 14.467 0.354 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.320 13.756 -0.602 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.560 13.083 -1.318 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -11.600 11.755 -0.870 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -12.809 12.322 0.179 1.00 1.65 H new ATOM 547 N SER A 62 -4.967 11.075 0.296 1.00 0.41 N ATOM 548 CA SER A 62 -3.743 10.978 -0.486 1.00 0.38 C ATOM 549 C SER A 62 -2.962 9.755 -0.005 1.00 0.35 C ATOM 550 O SER A 62 -3.136 9.325 1.129 1.00 0.50 O ATOM 551 CB SER A 62 -2.908 12.247 -0.293 1.00 0.47 C ATOM 552 OG SER A 62 -3.660 13.405 -0.616 1.00 1.28 O ATOM 0 H SER A 62 -4.882 10.678 1.232 1.00 0.41 H new ATOM 0 HA SER A 62 -3.976 10.875 -1.546 1.00 0.38 H new ATOM 0 HB2 SER A 62 -2.566 12.308 0.740 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.018 12.200 -0.921 1.00 0.47 H new ATOM 0 HG SER A 62 -3.051 14.151 -0.795 1.00 1.28 H new ATOM 558 N ILE A 63 -2.129 9.174 -0.853 1.00 0.36 N ATOM 559 CA ILE A 63 -1.301 8.060 -0.415 1.00 0.33 C ATOM 560 C ILE A 63 -0.049 8.612 0.248 1.00 0.35 C ATOM 561 O ILE A 63 0.605 9.495 -0.302 1.00 0.54 O ATOM 562 CB ILE A 63 -0.846 7.106 -1.552 1.00 0.34 C ATOM 563 CG1 ILE A 63 -1.954 6.849 -2.597 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.370 5.794 -0.941 1.00 0.39 C ATOM 565 CD1 ILE A 63 -1.831 5.513 -3.302 1.00 1.11 C ATOM 0 H ILE A 63 -2.008 9.447 -1.828 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.923 7.476 0.263 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.029 7.590 -2.087 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.925 6.901 -2.104 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -1.931 7.645 -3.341 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.049 5.119 -1.734 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.466 5.988 -0.269 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.186 5.336 -0.382 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -2.644 5.404 -4.020 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -0.876 5.464 -3.825 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -1.885 4.708 -2.569 1.00 1.11 H new ATOM 577 N ASN A 64 0.266 8.128 1.432 1.00 0.25 N ATOM 578 CA ASN A 64 1.494 8.518 2.099 1.00 0.25 C ATOM 579 C ASN A 64 2.357 7.294 2.352 1.00 0.21 C ATOM 580 O ASN A 64 1.986 6.409 3.119 1.00 0.24 O ATOM 581 CB ASN A 64 1.207 9.245 3.413 1.00 0.34 C ATOM 582 CG ASN A 64 0.808 10.698 3.216 1.00 0.57 C ATOM 583 OD1 ASN A 64 0.036 11.254 3.999 1.00 1.22 O ATOM 584 ND2 ASN A 64 1.334 11.327 2.177 1.00 0.53 N ATOM 0 H ASN A 64 -0.309 7.465 1.952 1.00 0.25 H new ATOM 0 HA ASN A 64 2.030 9.208 1.447 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.409 8.724 3.943 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.093 9.200 4.047 1.00 0.34 H new ATOM 0 HD21 ASN A 64 1.104 12.305 2.003 1.00 0.53 H new ATOM 0 HD22 ASN A 64 1.970 10.833 1.550 1.00 0.53 H new ATOM 591 N VAL A 65 3.492 7.230 1.679 1.00 0.20 N ATOM 592 CA VAL A 65 4.403 6.112 1.843 1.00 0.18 C ATOM 593 C VAL A 65 5.770 6.637 2.227 1.00 0.20 C ATOM 594 O VAL A 65 6.416 7.336 1.449 1.00 0.25 O ATOM 595 CB VAL A 65 4.541 5.264 0.561 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.170 3.915 0.883 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.198 5.088 -0.133 1.00 0.19 C ATOM 0 H VAL A 65 3.804 7.938 1.015 1.00 0.20 H new ATOM 0 HA VAL A 65 3.991 5.471 2.622 1.00 0.18 H new ATOM 0 HB VAL A 65 5.198 5.795 -0.128 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.261 3.328 -0.031 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.159 4.068 1.315 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.541 3.381 1.596 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.329 4.486 -1.032 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.503 4.587 0.541 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.798 6.065 -0.405 1.00 0.19 H new ATOM 607 N TYR A 66 6.202 6.315 3.425 1.00 0.19 N ATOM 608 CA TYR A 66 7.449 6.842 3.936 1.00 0.21 C ATOM 609 C TYR A 66 8.190 5.799 4.749 1.00 0.21 C ATOM 610 O TYR A 66 7.594 4.888 5.304 1.00 0.24 O ATOM 611 CB TYR A 66 7.210 8.111 4.765 1.00 0.27 C ATOM 612 CG TYR A 66 6.021 8.041 5.709 1.00 0.31 C ATOM 613 CD1 TYR A 66 4.742 8.342 5.260 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.182 7.692 7.045 1.00 0.40 C ATOM 615 CE1 TYR A 66 3.654 8.299 6.113 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.096 7.643 7.906 1.00 0.50 C ATOM 617 CZ TYR A 66 3.837 7.947 7.433 1.00 0.51 C ATOM 618 OH TYR A 66 2.754 7.913 8.283 1.00 0.63 O ATOM 0 H TYR A 66 5.709 5.691 4.064 1.00 0.19 H new ATOM 0 HA TYR A 66 8.073 7.108 3.083 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.107 8.322 5.348 1.00 0.27 H new ATOM 0 HB3 TYR A 66 7.067 8.951 4.085 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.594 8.615 4.226 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.168 7.455 7.418 1.00 0.40 H new ATOM 0 HE1 TYR A 66 2.667 8.540 5.747 1.00 0.43 H new ATOM 0 HE2 TYR A 66 5.236 7.368 8.941 1.00 0.50 H new ATOM 0 HH TYR A 66 2.758 8.712 8.850 1.00 0.63 H new ATOM 628 N SER A 67 9.494 5.931 4.780 1.00 0.21 N ATOM 629 CA SER A 67 10.341 5.046 5.548 1.00 0.24 C ATOM 630 C SER A 67 11.563 5.815 6.004 1.00 0.28 C ATOM 631 O SER A 67 11.610 7.039 5.869 1.00 0.30 O ATOM 632 CB SER A 67 10.772 3.826 4.727 1.00 0.26 C ATOM 633 OG SER A 67 11.790 4.164 3.796 1.00 0.29 O ATOM 0 H SER A 67 10.001 6.656 4.273 1.00 0.21 H new ATOM 0 HA SER A 67 9.777 4.683 6.407 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.133 3.044 5.395 1.00 0.26 H new ATOM 0 HB3 SER A 67 9.911 3.420 4.196 1.00 0.26 H new ATOM 0 HG SER A 67 12.265 3.352 3.522 1.00 0.29 H new ATOM 639 N LYS A 68 12.533 5.093 6.538 1.00 0.33 N ATOM 640 CA LYS A 68 13.792 5.670 6.983 1.00 0.38 C ATOM 641 C LYS A 68 14.379 6.614 5.934 1.00 0.36 C ATOM 642 O LYS A 68 14.986 7.633 6.265 1.00 0.42 O ATOM 643 CB LYS A 68 14.809 4.563 7.261 1.00 0.47 C ATOM 644 CG LYS A 68 14.539 3.696 8.491 1.00 0.63 C ATOM 645 CD LYS A 68 13.260 2.865 8.390 1.00 1.00 C ATOM 646 CE LYS A 68 13.078 1.945 9.594 1.00 1.58 C ATOM 647 NZ LYS A 68 14.136 0.902 9.689 1.00 2.03 N ATOM 0 H LYS A 68 12.470 4.084 6.676 1.00 0.33 H new ATOM 0 HA LYS A 68 13.586 6.235 7.892 1.00 0.38 H new ATOM 0 HB2 LYS A 68 14.857 3.913 6.387 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.792 5.020 7.372 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.385 3.026 8.645 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.476 4.338 9.370 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.401 3.531 8.310 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.287 2.268 7.479 1.00 1.00 H new ATOM 0 HE2 LYS A 68 13.081 2.543 10.506 1.00 1.58 H new ATOM 0 HE3 LYS A 68 12.103 1.462 9.532 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 13.972 0.317 10.533 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 14.108 0.301 8.841 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 15.068 1.358 9.759 1.00 2.03 H new ATOM 661 N CYS A 69 14.190 6.265 4.668 1.00 0.36 N ATOM 662 CA CYS A 69 14.876 6.968 3.584 1.00 0.37 C ATOM 663 C CYS A 69 13.967 7.412 2.420 1.00 0.41 C ATOM 664 O CYS A 69 14.468 7.971 1.442 1.00 0.74 O ATOM 665 CB CYS A 69 15.974 6.062 3.047 1.00 0.38 C ATOM 666 SG CYS A 69 17.167 5.499 4.303 1.00 0.38 S ATOM 0 H CYS A 69 13.576 5.509 4.365 1.00 0.36 H new ATOM 0 HA CYS A 69 15.270 7.890 4.013 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.514 5.189 2.584 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.514 6.592 2.262 1.00 0.38 H new ATOM 671 N ILE A 70 12.658 7.179 2.492 1.00 0.25 N ATOM 672 CA ILE A 70 11.769 7.568 1.383 1.00 0.22 C ATOM 673 C ILE A 70 10.571 8.368 1.888 1.00 0.23 C ATOM 674 O ILE A 70 10.097 8.165 3.005 1.00 0.27 O ATOM 675 CB ILE A 70 11.305 6.343 0.551 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.491 6.757 -0.684 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.494 5.377 1.395 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.515 5.708 -1.764 1.00 0.23 C ATOM 0 H ILE A 70 12.192 6.734 3.283 1.00 0.25 H new ATOM 0 HA ILE A 70 12.351 8.209 0.720 1.00 0.22 H new ATOM 0 HB ILE A 70 12.211 5.843 0.210 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.459 6.947 -0.389 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.887 7.692 -1.080 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.184 4.530 0.782 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.103 5.020 2.226 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.612 5.886 1.784 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.925 6.048 -2.615 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.544 5.536 -2.081 1.00 0.23 H new ATOM 0 HD13 ILE A 70 10.094 4.779 -1.379 1.00 0.23 H new ATOM 690 N SER A 71 10.109 9.292 1.060 1.00 0.24 N ATOM 691 CA SER A 71 9.038 10.210 1.421 1.00 0.28 C ATOM 692 C SER A 71 8.103 10.401 0.236 1.00 0.29 C ATOM 693 O SER A 71 8.445 11.093 -0.722 1.00 0.39 O ATOM 694 CB SER A 71 9.653 11.552 1.818 1.00 0.42 C ATOM 695 OG SER A 71 10.548 11.409 2.910 1.00 1.12 O ATOM 0 H SER A 71 10.467 9.427 0.115 1.00 0.24 H new ATOM 0 HA SER A 71 8.468 9.804 2.257 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.182 11.978 0.965 1.00 0.42 H new ATOM 0 HB3 SER A 71 8.861 12.252 2.084 1.00 0.42 H new ATOM 0 HG SER A 71 10.497 10.494 3.257 1.00 1.12 H new ATOM 701 N GLY A 72 6.937 9.778 0.284 1.00 0.30 N ATOM 702 CA GLY A 72 6.062 9.807 -0.862 1.00 0.42 C ATOM 703 C GLY A 72 4.644 10.205 -0.553 1.00 0.31 C ATOM 704 O GLY A 72 4.015 9.675 0.366 1.00 0.40 O ATOM 0 H GLY A 72 6.585 9.258 1.088 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.469 10.501 -1.597 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.057 8.820 -1.325 1.00 0.42 H new ATOM 708 N LYS A 73 4.150 11.153 -1.324 1.00 0.24 N ATOM 709 CA LYS A 73 2.751 11.486 -1.324 1.00 0.23 C ATOM 710 C LYS A 73 2.159 11.032 -2.645 1.00 0.21 C ATOM 711 O LYS A 73 2.886 10.853 -3.620 1.00 0.27 O ATOM 712 CB LYS A 73 2.561 12.993 -1.140 1.00 0.35 C ATOM 713 CG LYS A 73 3.021 13.824 -2.313 1.00 1.00 C ATOM 714 CD LYS A 73 1.912 14.722 -2.814 1.00 0.70 C ATOM 715 CE LYS A 73 0.946 13.955 -3.687 1.00 0.43 C ATOM 716 NZ LYS A 73 -0.065 14.841 -4.322 1.00 0.64 N ATOM 0 H LYS A 73 4.713 11.711 -1.966 1.00 0.24 H new ATOM 0 HA LYS A 73 2.246 10.986 -0.498 1.00 0.23 H new ATOM 0 HB2 LYS A 73 1.505 13.195 -0.958 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.104 13.310 -0.250 1.00 0.35 H new ATOM 0 HG2 LYS A 73 3.878 14.430 -2.019 1.00 1.00 H new ATOM 0 HG3 LYS A 73 3.354 13.169 -3.118 1.00 1.00 H new ATOM 0 HD2 LYS A 73 1.378 15.154 -1.967 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.338 15.551 -3.379 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.501 13.427 -4.462 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.438 13.200 -3.087 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 -0.366 14.430 -5.228 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.888 14.935 -3.693 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 0.352 15.779 -4.489 1.00 0.64 H new ATOM 730 N ALA A 74 0.863 10.827 -2.677 1.00 0.21 N ATOM 731 CA ALA A 74 0.182 10.450 -3.899 1.00 0.22 C ATOM 732 C ALA A 74 -1.285 10.786 -3.782 1.00 0.26 C ATOM 733 O ALA A 74 -1.775 11.009 -2.689 1.00 0.41 O ATOM 734 CB ALA A 74 0.358 8.961 -4.167 1.00 0.23 C ATOM 0 H ALA A 74 0.252 10.915 -1.865 1.00 0.21 H new ATOM 0 HA ALA A 74 0.614 11.004 -4.733 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.159 8.693 -5.088 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.419 8.732 -4.267 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.060 8.390 -3.338 1.00 0.23 H new ATOM 740 N VAL A 75 -1.980 10.855 -4.894 1.00 0.28 N ATOM 741 CA VAL A 75 -3.425 10.963 -4.858 1.00 0.33 C ATOM 742 C VAL A 75 -4.003 9.664 -5.367 1.00 0.29 C ATOM 743 O VAL A 75 -3.580 9.161 -6.406 1.00 0.29 O ATOM 744 CB VAL A 75 -3.959 12.126 -5.708 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.454 12.303 -5.496 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.214 13.415 -5.402 1.00 0.80 C ATOM 0 H VAL A 75 -1.574 10.839 -5.830 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.725 11.163 -3.829 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.788 11.883 -6.757 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.813 13.132 -6.107 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.973 11.389 -5.784 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.650 12.516 -4.445 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.613 14.221 -6.018 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.340 13.667 -4.349 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.154 13.283 -5.619 1.00 0.80 H new ATOM 756 N TYR A 76 -4.946 9.111 -4.637 1.00 0.29 N ATOM 757 CA TYR A 76 -5.467 7.806 -4.985 1.00 0.25 C ATOM 758 C TYR A 76 -6.805 7.897 -5.695 1.00 0.29 C ATOM 759 O TYR A 76 -7.663 8.714 -5.357 1.00 0.42 O ATOM 760 CB TYR A 76 -5.539 6.864 -3.771 1.00 0.29 C ATOM 761 CG TYR A 76 -6.343 7.344 -2.585 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.731 7.306 -2.590 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.701 7.793 -1.442 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.458 7.714 -1.487 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.419 8.194 -0.331 1.00 0.56 C ATOM 766 CZ TYR A 76 -7.796 8.153 -0.359 1.00 0.64 C ATOM 767 OH TYR A 76 -8.512 8.548 0.746 1.00 0.75 O ATOM 0 H TYR A 76 -5.364 9.537 -3.810 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.756 7.370 -5.687 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -5.957 5.913 -4.103 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.522 6.665 -3.434 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.250 6.953 -3.468 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.622 7.830 -1.419 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.538 7.689 -1.508 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -5.904 8.537 0.554 1.00 0.56 H new ATOM 0 HH TYR A 76 -8.159 8.098 1.542 1.00 0.75 H new ATOM 777 N SER A 77 -6.952 7.047 -6.693 1.00 0.25 N ATOM 778 CA SER A 77 -8.153 6.977 -7.497 1.00 0.29 C ATOM 779 C SER A 77 -8.597 5.522 -7.591 1.00 0.23 C ATOM 780 O SER A 77 -7.803 4.616 -7.324 1.00 0.26 O ATOM 781 CB SER A 77 -7.880 7.538 -8.889 1.00 0.39 C ATOM 782 OG SER A 77 -7.099 8.724 -8.826 1.00 0.98 O ATOM 0 H SER A 77 -6.232 6.379 -6.970 1.00 0.25 H new ATOM 0 HA SER A 77 -8.943 7.570 -7.036 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.361 6.790 -9.489 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.825 7.749 -9.390 1.00 0.39 H new ATOM 0 HG SER A 77 -6.939 9.059 -9.733 1.00 0.98 H new ATOM 788 N PHE A 78 -9.845 5.295 -7.960 1.00 0.20 N ATOM 789 CA PHE A 78 -10.374 3.941 -8.028 1.00 0.20 C ATOM 790 C PHE A 78 -10.934 3.638 -9.407 1.00 0.22 C ATOM 791 O PHE A 78 -11.620 4.468 -10.008 1.00 0.28 O ATOM 792 CB PHE A 78 -11.459 3.729 -6.971 1.00 0.24 C ATOM 793 CG PHE A 78 -10.940 3.751 -5.562 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.388 2.612 -5.000 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.008 4.907 -4.802 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.913 2.624 -3.705 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.534 4.927 -3.505 1.00 0.47 C ATOM 798 CZ PHE A 78 -9.987 3.784 -2.955 1.00 0.50 C ATOM 0 H PHE A 78 -10.509 6.025 -8.216 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.549 3.257 -7.832 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.218 4.503 -7.082 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.950 2.773 -7.153 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.329 1.704 -5.582 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.436 5.802 -5.228 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.484 1.730 -3.278 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.591 5.834 -2.922 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.617 3.796 -1.940 1.00 0.50 H new ATOM 808 N ASN A 79 -10.625 2.453 -9.910 1.00 0.21 N ATOM 809 CA ASN A 79 -11.169 1.998 -11.179 1.00 0.23 C ATOM 810 C ASN A 79 -11.493 0.514 -11.100 1.00 0.26 C ATOM 811 O ASN A 79 -10.590 -0.314 -11.022 1.00 0.31 O ATOM 812 CB ASN A 79 -10.175 2.254 -12.311 1.00 0.31 C ATOM 813 CG ASN A 79 -10.771 1.990 -13.682 1.00 0.45 C ATOM 814 OD1 ASN A 79 -11.967 2.184 -13.901 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.942 1.549 -14.617 1.00 0.59 N ATOM 0 H ASN A 79 -9.999 1.788 -9.457 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.083 2.555 -11.386 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.831 3.287 -12.261 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.300 1.620 -12.171 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.289 1.358 -15.557 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.957 1.401 -14.397 1.00 0.59 H new ATOM 822 N ALA A 80 -12.783 0.188 -11.097 1.00 0.28 N ATOM 823 CA ALA A 80 -13.241 -1.200 -11.016 1.00 0.38 C ATOM 824 C ALA A 80 -12.686 -1.900 -9.773 1.00 0.46 C ATOM 825 O ALA A 80 -12.326 -3.077 -9.814 1.00 0.95 O ATOM 826 CB ALA A 80 -12.859 -1.966 -12.276 1.00 0.45 C ATOM 0 H ALA A 80 -13.538 0.872 -11.150 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.328 -1.186 -10.933 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.208 -2.995 -12.196 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.320 -1.493 -13.143 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.775 -1.959 -12.392 1.00 0.45 H new ATOM 832 N GLY A 81 -12.615 -1.167 -8.669 1.00 0.24 N ATOM 833 CA GLY A 81 -12.105 -1.726 -7.436 1.00 0.21 C ATOM 834 C GLY A 81 -10.597 -1.627 -7.325 1.00 0.21 C ATOM 835 O GLY A 81 -10.027 -1.899 -6.271 1.00 0.31 O ATOM 0 H GLY A 81 -12.904 -0.191 -8.608 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.561 -1.209 -6.592 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.402 -2.773 -7.367 1.00 0.21 H new ATOM 839 N LYS A 82 -9.946 -1.248 -8.412 1.00 0.19 N ATOM 840 CA LYS A 82 -8.506 -1.093 -8.408 1.00 0.20 C ATOM 841 C LYS A 82 -8.110 0.229 -7.767 1.00 0.20 C ATOM 842 O LYS A 82 -8.508 1.300 -8.227 1.00 0.26 O ATOM 843 CB LYS A 82 -7.952 -1.164 -9.826 1.00 0.23 C ATOM 844 CG LYS A 82 -8.074 -2.533 -10.465 1.00 0.26 C ATOM 845 CD LYS A 82 -7.442 -3.599 -9.590 1.00 0.23 C ATOM 846 CE LYS A 82 -7.096 -4.843 -10.385 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.058 -4.568 -11.415 1.00 1.32 N ATOM 0 H LYS A 82 -10.393 -1.043 -9.306 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.083 -1.910 -7.823 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.475 -0.436 -10.447 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.902 -0.873 -9.810 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.125 -2.769 -10.630 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.592 -2.526 -11.442 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.540 -3.201 -9.126 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.127 -3.861 -8.783 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.740 -5.620 -9.708 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -7.994 -5.228 -10.868 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.571 -5.453 -11.662 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.508 -4.172 -12.265 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.368 -3.887 -11.039 1.00 1.32 H new ATOM 861 N PHE A 83 -7.323 0.134 -6.711 1.00 0.16 N ATOM 862 CA PHE A 83 -6.855 1.293 -5.976 1.00 0.16 C ATOM 863 C PHE A 83 -5.525 1.770 -6.545 1.00 0.16 C ATOM 864 O PHE A 83 -4.557 1.010 -6.630 1.00 0.17 O ATOM 865 CB PHE A 83 -6.750 0.927 -4.480 1.00 0.15 C ATOM 866 CG PHE A 83 -5.794 1.758 -3.667 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.203 2.940 -3.073 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.482 1.337 -3.483 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.323 3.689 -2.317 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.599 2.084 -2.727 1.00 0.22 C ATOM 871 CZ PHE A 83 -4.022 3.260 -2.146 1.00 0.22 C ATOM 0 H PHE A 83 -6.989 -0.755 -6.338 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.560 2.118 -6.077 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.742 1.009 -4.035 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.451 -0.118 -4.401 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.220 3.279 -3.202 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.149 0.415 -3.936 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.652 4.610 -1.860 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.582 1.748 -2.592 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.334 3.847 -1.556 1.00 0.22 H new ATOM 881 N MET A 84 -5.501 3.023 -6.968 1.00 0.19 N ATOM 882 CA MET A 84 -4.333 3.592 -7.617 1.00 0.19 C ATOM 883 C MET A 84 -3.806 4.782 -6.847 1.00 0.24 C ATOM 884 O MET A 84 -4.424 5.218 -5.887 1.00 0.44 O ATOM 885 CB MET A 84 -4.691 4.008 -9.037 1.00 0.22 C ATOM 886 CG MET A 84 -5.366 2.900 -9.800 1.00 0.21 C ATOM 887 SD MET A 84 -5.864 3.363 -11.458 1.00 0.25 S ATOM 888 CE MET A 84 -6.395 1.754 -12.014 1.00 0.23 C ATOM 0 H MET A 84 -6.284 3.669 -6.872 1.00 0.19 H new ATOM 0 HA MET A 84 -3.550 2.834 -7.643 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.348 4.877 -9.005 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.786 4.311 -9.564 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.690 2.047 -9.859 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.245 2.572 -9.245 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.016 1.863 -12.903 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.523 1.145 -12.253 1.00 0.23 H new ATOM 0 HE3 MET A 84 -6.971 1.269 -11.226 1.00 0.23 H new ATOM 898 N GLY A 85 -2.664 5.300 -7.272 1.00 0.19 N ATOM 899 CA GLY A 85 -2.092 6.456 -6.618 1.00 0.23 C ATOM 900 C GLY A 85 -0.976 7.082 -7.417 1.00 0.30 C ATOM 901 O GLY A 85 0.060 6.458 -7.629 1.00 0.61 O ATOM 0 H GLY A 85 -2.123 4.940 -8.058 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.873 7.197 -6.450 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.713 6.164 -5.639 1.00 0.23 H new ATOM 905 N ASN A 86 -1.175 8.309 -7.871 1.00 0.27 N ATOM 906 CA ASN A 86 -0.122 9.020 -8.586 1.00 0.30 C ATOM 907 C ASN A 86 0.845 9.623 -7.584 1.00 0.24 C ATOM 908 O ASN A 86 0.483 10.527 -6.828 1.00 0.23 O ATOM 909 CB ASN A 86 -0.712 10.109 -9.481 1.00 0.41 C ATOM 910 CG ASN A 86 0.341 10.821 -10.301 1.00 0.58 C ATOM 911 OD1 ASN A 86 0.886 11.849 -9.891 1.00 1.51 O ATOM 912 ND2 ASN A 86 0.638 10.272 -11.461 1.00 0.93 N ATOM 0 H ASN A 86 -2.045 8.830 -7.760 1.00 0.27 H new ATOM 0 HA ASN A 86 0.411 8.316 -9.225 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.449 9.665 -10.150 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -1.239 10.836 -8.863 1.00 0.41 H new ATOM 0 HD21 ASN A 86 1.345 10.698 -12.061 1.00 0.93 H new ATOM 0 HD22 ASN A 86 0.161 9.421 -11.759 1.00 0.93 H new ATOM 919 N PHE A 87 2.079 9.138 -7.597 1.00 0.23 N ATOM 920 CA PHE A 87 3.029 9.428 -6.532 1.00 0.20 C ATOM 921 C PHE A 87 3.926 10.606 -6.832 1.00 0.22 C ATOM 922 O PHE A 87 4.187 10.955 -7.984 1.00 0.30 O ATOM 923 CB PHE A 87 3.906 8.211 -6.241 1.00 0.24 C ATOM 924 CG PHE A 87 3.242 7.178 -5.382 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.504 6.156 -5.947 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.361 7.237 -4.005 1.00 0.23 C ATOM 927 CE1 PHE A 87 1.891 5.207 -5.155 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.752 6.295 -3.205 1.00 0.27 C ATOM 929 CZ PHE A 87 2.013 5.274 -3.779 1.00 0.28 C ATOM 0 H PHE A 87 2.447 8.539 -8.337 1.00 0.23 H new ATOM 0 HA PHE A 87 2.423 9.682 -5.662 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.198 7.751 -7.185 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.821 8.543 -5.751 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.406 6.099 -7.021 1.00 0.23 H new ATOM 0 HD2 PHE A 87 3.938 8.030 -3.552 1.00 0.23 H new ATOM 0 HE1 PHE A 87 1.317 4.413 -5.609 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.851 6.353 -2.131 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.534 4.534 -3.155 1.00 0.28 H new ATOM 939 N ASN A 88 4.386 11.199 -5.753 1.00 0.21 N ATOM 940 CA ASN A 88 5.389 12.239 -5.773 1.00 0.26 C ATOM 941 C ASN A 88 6.418 11.929 -4.705 1.00 0.27 C ATOM 942 O ASN A 88 6.489 12.604 -3.679 1.00 0.42 O ATOM 943 CB ASN A 88 4.770 13.602 -5.499 1.00 0.34 C ATOM 944 CG ASN A 88 3.935 14.114 -6.653 1.00 1.15 C ATOM 945 OD1 ASN A 88 2.732 13.868 -6.726 1.00 2.02 O ATOM 946 ND2 ASN A 88 4.568 14.839 -7.561 1.00 1.66 N ATOM 0 H ASN A 88 4.064 10.965 -4.814 1.00 0.21 H new ATOM 0 HA ASN A 88 5.852 12.271 -6.759 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.147 13.540 -4.607 1.00 0.34 H new ATOM 0 HB3 ASN A 88 5.563 14.319 -5.285 1.00 0.34 H new ATOM 0 HD21 ASN A 88 4.057 15.217 -8.359 1.00 1.66 H new ATOM 0 HD22 ASN A 88 5.567 15.020 -7.463 1.00 1.66 H new ATOM 953 N VAL A 89 7.191 10.884 -4.929 1.00 0.24 N ATOM 954 CA VAL A 89 8.113 10.404 -3.914 1.00 0.24 C ATOM 955 C VAL A 89 9.466 11.066 -4.054 1.00 0.30 C ATOM 956 O VAL A 89 9.931 11.335 -5.163 1.00 0.34 O ATOM 957 CB VAL A 89 8.328 8.870 -3.959 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.491 8.314 -2.569 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.196 8.158 -4.692 1.00 0.25 C ATOM 0 H VAL A 89 7.201 10.352 -5.799 1.00 0.24 H new ATOM 0 HA VAL A 89 7.650 10.662 -2.961 1.00 0.24 H new ATOM 0 HB VAL A 89 9.245 8.687 -4.519 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.641 7.236 -2.624 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.355 8.776 -2.091 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.596 8.527 -1.985 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.386 7.085 -4.700 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.252 8.355 -4.183 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.139 8.524 -5.717 1.00 0.25 H new ATOM 969 N LYS A 90 10.065 11.352 -2.919 1.00 0.33 N ATOM 970 CA LYS A 90 11.453 11.754 -2.853 1.00 0.41 C ATOM 971 C LYS A 90 12.194 10.688 -2.069 1.00 0.33 C ATOM 972 O LYS A 90 11.694 10.208 -1.045 1.00 0.35 O ATOM 973 CB LYS A 90 11.603 13.124 -2.194 1.00 0.54 C ATOM 974 CG LYS A 90 11.249 13.130 -0.724 1.00 0.99 C ATOM 975 CD LYS A 90 11.509 14.487 -0.116 1.00 1.48 C ATOM 976 CE LYS A 90 11.358 14.483 1.398 1.00 2.27 C ATOM 977 NZ LYS A 90 12.272 13.511 2.056 1.00 2.81 N ATOM 0 H LYS A 90 9.601 11.312 -2.012 1.00 0.33 H new ATOM 0 HA LYS A 90 11.867 11.847 -3.857 1.00 0.41 H new ATOM 0 HB2 LYS A 90 12.632 13.465 -2.313 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.968 13.840 -2.715 1.00 0.54 H new ATOM 0 HG2 LYS A 90 10.199 12.865 -0.597 1.00 0.99 H new ATOM 0 HG3 LYS A 90 11.835 12.374 -0.201 1.00 0.99 H new ATOM 0 HD2 LYS A 90 12.516 14.812 -0.377 1.00 1.48 H new ATOM 0 HD3 LYS A 90 10.818 15.213 -0.545 1.00 1.48 H new ATOM 0 HE2 LYS A 90 11.557 15.483 1.783 1.00 2.27 H new ATOM 0 HE3 LYS A 90 10.327 14.241 1.657 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 11.715 12.738 2.472 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 12.931 13.122 1.352 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 12.810 13.992 2.805 1.00 2.81 H new ATOM 991 N GLU A 91 13.352 10.284 -2.545 1.00 0.41 N ATOM 992 CA GLU A 91 13.996 9.117 -1.983 1.00 0.44 C ATOM 993 C GLU A 91 15.492 9.067 -2.280 1.00 0.46 C ATOM 994 O GLU A 91 15.965 9.530 -3.320 1.00 0.62 O ATOM 995 CB GLU A 91 13.270 7.857 -2.473 1.00 0.72 C ATOM 996 CG GLU A 91 13.638 7.340 -3.857 1.00 0.52 C ATOM 997 CD GLU A 91 13.537 8.366 -4.974 1.00 1.20 C ATOM 998 OE1 GLU A 91 12.491 9.032 -5.096 1.00 1.57 O ATOM 999 OE2 GLU A 91 14.506 8.491 -5.757 1.00 1.68 O ATOM 0 H GLU A 91 13.859 10.736 -3.306 1.00 0.41 H new ATOM 0 HA GLU A 91 13.921 9.174 -0.897 1.00 0.44 H new ATOM 0 HB2 GLU A 91 13.454 7.059 -1.754 1.00 0.72 H new ATOM 0 HB3 GLU A 91 12.199 8.057 -2.460 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.658 6.958 -3.826 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.989 6.498 -4.098 1.00 0.52 H new ATOM 1006 N VAL A 92 16.223 8.542 -1.311 1.00 0.45 N ATOM 1007 CA VAL A 92 17.659 8.376 -1.394 1.00 0.43 C ATOM 1008 C VAL A 92 18.011 7.171 -2.254 1.00 0.41 C ATOM 1009 O VAL A 92 17.172 6.319 -2.530 1.00 0.40 O ATOM 1010 CB VAL A 92 18.274 8.167 0.003 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.936 9.313 0.926 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.812 6.859 0.590 1.00 0.40 C ATOM 0 H VAL A 92 15.825 8.214 -0.431 1.00 0.45 H new ATOM 0 HA VAL A 92 18.063 9.285 -1.840 1.00 0.43 H new ATOM 0 HB VAL A 92 19.358 8.136 -0.107 1.00 0.44 H new ATOM 0 HG11 VAL A 92 18.384 9.137 1.904 1.00 0.53 H new ATOM 0 HG12 VAL A 92 18.326 10.242 0.510 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.854 9.389 1.031 1.00 0.53 H new ATOM 0 HG21 VAL A 92 18.255 6.726 1.577 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.726 6.863 0.678 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.120 6.040 -0.059 1.00 0.40 H new ATOM 1022 N ASP A 93 19.234 7.122 -2.708 1.00 0.44 N ATOM 1023 CA ASP A 93 19.744 5.940 -3.379 1.00 0.45 C ATOM 1024 C ASP A 93 20.806 5.292 -2.516 1.00 0.46 C ATOM 1025 O ASP A 93 21.614 5.976 -1.887 1.00 0.57 O ATOM 1026 CB ASP A 93 20.302 6.294 -4.747 1.00 0.56 C ATOM 1027 CG ASP A 93 20.932 5.110 -5.452 1.00 1.17 C ATOM 1028 OD1 ASP A 93 20.185 4.234 -5.932 1.00 1.78 O ATOM 1029 OD2 ASP A 93 22.177 5.065 -5.545 1.00 1.83 O ATOM 0 H ASP A 93 19.904 7.887 -2.629 1.00 0.44 H new ATOM 0 HA ASP A 93 18.927 5.235 -3.529 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.501 6.696 -5.368 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.046 7.083 -4.637 1.00 0.56 H new ATOM 1034 N GLY A 94 20.789 3.974 -2.474 1.00 0.42 N ATOM 1035 CA GLY A 94 21.683 3.255 -1.591 1.00 0.43 C ATOM 1036 C GLY A 94 20.961 2.667 -0.390 1.00 0.40 C ATOM 1037 O GLY A 94 21.295 1.576 0.069 1.00 0.48 O ATOM 0 H GLY A 94 20.173 3.386 -3.035 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.171 2.454 -2.146 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.468 3.928 -1.246 1.00 0.43 H new ATOM 1041 N CYS A 95 19.945 3.371 0.101 1.00 0.33 N ATOM 1042 CA CYS A 95 19.203 2.923 1.281 1.00 0.31 C ATOM 1043 C CYS A 95 18.185 1.889 0.854 1.00 0.27 C ATOM 1044 O CYS A 95 17.860 0.960 1.587 1.00 0.32 O ATOM 1045 CB CYS A 95 18.521 4.106 1.967 1.00 0.33 C ATOM 1046 SG CYS A 95 17.797 3.707 3.594 1.00 0.42 S ATOM 0 H CYS A 95 19.616 4.251 -0.296 1.00 0.33 H new ATOM 0 HA CYS A 95 19.891 2.477 1.999 1.00 0.31 H new ATOM 0 HB2 CYS A 95 19.248 4.908 2.092 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.735 4.487 1.315 1.00 0.33 H new ATOM 1051 N PHE A 96 17.696 2.062 -0.358 1.00 0.24 N ATOM 1052 CA PHE A 96 16.906 1.043 -1.018 1.00 0.23 C ATOM 1053 C PHE A 96 17.842 0.292 -1.956 1.00 0.24 C ATOM 1054 O PHE A 96 17.432 -0.201 -3.004 1.00 0.23 O ATOM 1055 CB PHE A 96 15.758 1.671 -1.821 1.00 0.24 C ATOM 1056 CG PHE A 96 15.135 2.868 -1.166 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.713 4.096 -1.350 1.00 0.30 C ATOM 1058 CD2 PHE A 96 14.001 2.781 -0.371 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.196 5.222 -0.753 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.475 3.907 0.223 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.079 5.126 0.033 1.00 0.31 C ATOM 0 H PHE A 96 17.834 2.908 -0.910 1.00 0.24 H new ATOM 0 HA PHE A 96 16.461 0.375 -0.281 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.132 1.961 -2.803 1.00 0.24 H new ATOM 0 HB3 PHE A 96 14.988 0.917 -1.983 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.590 4.182 -1.975 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.527 1.823 -0.217 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.670 6.180 -0.904 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.590 3.832 0.837 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.673 6.009 0.504 1.00 0.31 H new ATOM 1071 N MET A 97 19.117 0.245 -1.554 1.00 0.27 N ATOM 1072 CA MET A 97 20.199 -0.305 -2.358 1.00 0.29 C ATOM 1073 C MET A 97 20.011 0.002 -3.840 1.00 0.31 C ATOM 1074 O MET A 97 20.097 1.161 -4.249 1.00 0.40 O ATOM 1075 CB MET A 97 20.351 -1.803 -2.105 1.00 0.29 C ATOM 1076 CG MET A 97 20.748 -2.129 -0.675 1.00 0.33 C ATOM 1077 SD MET A 97 21.451 -3.780 -0.503 1.00 0.45 S ATOM 1078 CE MET A 97 20.060 -4.803 -0.977 1.00 1.22 C ATOM 0 H MET A 97 19.424 0.595 -0.646 1.00 0.27 H new ATOM 0 HA MET A 97 21.125 0.181 -2.051 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.410 -2.302 -2.337 1.00 0.29 H new ATOM 0 HB3 MET A 97 21.102 -2.206 -2.785 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.473 -1.393 -0.327 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.873 -2.043 -0.031 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.390 -5.835 -1.092 1.00 1.22 H new ATOM 0 HE2 MET A 97 19.291 -4.751 -0.206 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.651 -4.446 -1.922 1.00 1.22 H new ATOM 1088 N ASP A 98 19.750 -1.027 -4.632 1.00 0.30 N ATOM 1089 CA ASP A 98 19.454 -0.846 -6.043 1.00 0.31 C ATOM 1090 C ASP A 98 18.216 -1.624 -6.412 1.00 0.26 C ATOM 1091 O ASP A 98 17.287 -1.089 -7.012 1.00 0.25 O ATOM 1092 CB ASP A 98 20.623 -1.321 -6.905 1.00 0.40 C ATOM 1093 CG ASP A 98 21.891 -0.521 -6.694 1.00 1.01 C ATOM 1094 OD1 ASP A 98 22.648 -0.837 -5.749 1.00 1.19 O ATOM 1095 OD2 ASP A 98 22.148 0.415 -7.481 1.00 1.64 O ATOM 0 H ASP A 98 19.737 -1.998 -4.320 1.00 0.30 H new ATOM 0 HA ASP A 98 19.289 0.216 -6.224 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.823 -2.370 -6.686 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.337 -1.264 -7.955 1.00 0.40 H new ATOM 1100 N ALA A 99 18.185 -2.878 -6.000 1.00 0.24 N ATOM 1101 CA ALA A 99 17.114 -3.768 -6.381 1.00 0.24 C ATOM 1102 C ALA A 99 15.899 -3.506 -5.522 1.00 0.20 C ATOM 1103 O ALA A 99 14.767 -3.801 -5.903 1.00 0.20 O ATOM 1104 CB ALA A 99 17.554 -5.217 -6.282 1.00 0.28 C ATOM 0 H ALA A 99 18.893 -3.300 -5.400 1.00 0.24 H new ATOM 0 HA ALA A 99 16.850 -3.577 -7.421 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.730 -5.868 -6.574 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.402 -5.386 -6.945 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.846 -5.439 -5.256 1.00 0.28 H new ATOM 1110 N GLN A 100 16.154 -2.959 -4.350 1.00 0.18 N ATOM 1111 CA GLN A 100 15.099 -2.591 -3.431 1.00 0.16 C ATOM 1112 C GLN A 100 14.359 -1.382 -3.970 1.00 0.14 C ATOM 1113 O GLN A 100 13.142 -1.281 -3.869 1.00 0.13 O ATOM 1114 CB GLN A 100 15.678 -2.262 -2.068 1.00 0.19 C ATOM 1115 CG GLN A 100 16.777 -3.205 -1.637 1.00 0.23 C ATOM 1116 CD GLN A 100 17.067 -3.105 -0.163 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.861 -2.278 0.276 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.431 -3.959 0.609 1.00 1.27 N ATOM 0 H GLN A 100 17.095 -2.758 -4.010 1.00 0.18 H new ATOM 0 HA GLN A 100 14.411 -3.430 -3.329 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.069 -1.244 -2.084 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.879 -2.285 -1.327 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.492 -4.228 -1.881 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.684 -2.984 -2.200 1.00 0.23 H new ATOM 0 HE21 GLN A 100 15.780 -4.629 0.200 1.00 1.27 H new ATOM 0 HE22 GLN A 100 16.589 -3.951 1.617 1.00 1.27 H new ATOM 1127 N LYS A 101 15.121 -0.458 -4.532 1.00 0.16 N ATOM 1128 CA LYS A 101 14.552 0.707 -5.186 1.00 0.17 C ATOM 1129 C LYS A 101 13.722 0.276 -6.391 1.00 0.17 C ATOM 1130 O LYS A 101 12.616 0.771 -6.605 1.00 0.17 O ATOM 1131 CB LYS A 101 15.650 1.692 -5.602 1.00 0.23 C ATOM 1132 CG LYS A 101 15.098 2.946 -6.228 1.00 0.28 C ATOM 1133 CD LYS A 101 16.100 4.090 -6.205 1.00 0.50 C ATOM 1134 CE LYS A 101 15.423 5.409 -6.544 1.00 1.21 C ATOM 1135 NZ LYS A 101 16.332 6.575 -6.367 1.00 1.85 N ATOM 0 H LYS A 101 16.140 -0.494 -4.548 1.00 0.16 H new ATOM 0 HA LYS A 101 13.899 1.219 -4.479 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.244 1.958 -4.728 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.322 1.204 -6.308 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.810 2.739 -7.259 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.194 3.247 -5.698 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.561 4.156 -5.219 1.00 0.50 H new ATOM 0 HD3 LYS A 101 16.900 3.893 -6.919 1.00 0.50 H new ATOM 0 HE2 LYS A 101 15.071 5.379 -7.575 1.00 1.21 H new ATOM 0 HE3 LYS A 101 14.545 5.537 -5.911 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 15.785 7.456 -6.444 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 16.780 6.527 -5.430 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 17.066 6.558 -7.103 1.00 1.85 H new ATOM 1149 N ILE A 102 14.270 -0.642 -7.178 1.00 0.17 N ATOM 1150 CA ILE A 102 13.512 -1.307 -8.228 1.00 0.18 C ATOM 1151 C ILE A 102 12.231 -1.920 -7.667 1.00 0.15 C ATOM 1152 O ILE A 102 11.156 -1.733 -8.226 1.00 0.15 O ATOM 1153 CB ILE A 102 14.362 -2.402 -8.886 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.617 -1.762 -9.465 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.574 -3.135 -9.969 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.684 -2.752 -9.859 1.00 0.25 C ATOM 0 H ILE A 102 15.242 -0.943 -7.107 1.00 0.17 H new ATOM 0 HA ILE A 102 13.245 -0.561 -8.976 1.00 0.18 H new ATOM 0 HB ILE A 102 14.641 -3.143 -8.137 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.342 -1.173 -10.340 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.031 -1.070 -8.732 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.202 -3.905 -10.418 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.692 -3.598 -9.527 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.265 -2.426 -10.737 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.545 -2.218 -10.262 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.990 -3.325 -8.984 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.290 -3.429 -10.616 1.00 0.25 H new ATOM 1168 N ALA A 103 12.363 -2.643 -6.555 1.00 0.13 N ATOM 1169 CA ALA A 103 11.218 -3.223 -5.851 1.00 0.11 C ATOM 1170 C ALA A 103 10.171 -2.164 -5.541 1.00 0.10 C ATOM 1171 O ALA A 103 8.970 -2.404 -5.634 1.00 0.10 O ATOM 1172 CB ALA A 103 11.675 -3.860 -4.553 1.00 0.11 C ATOM 0 H ALA A 103 13.263 -2.843 -6.118 1.00 0.13 H new ATOM 0 HA ALA A 103 10.774 -3.978 -6.501 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.816 -4.289 -4.036 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.399 -4.646 -4.769 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.139 -3.104 -3.920 1.00 0.11 H new ATOM 1178 N ILE A 104 10.654 -0.992 -5.183 1.00 0.10 N ATOM 1179 CA ILE A 104 9.808 0.112 -4.784 1.00 0.11 C ATOM 1180 C ILE A 104 9.145 0.749 -5.991 1.00 0.12 C ATOM 1181 O ILE A 104 7.984 1.147 -5.932 1.00 0.13 O ATOM 1182 CB ILE A 104 10.644 1.128 -3.990 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.929 0.547 -2.622 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.976 2.483 -3.857 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.428 1.566 -1.646 1.00 0.17 C ATOM 0 H ILE A 104 11.651 -0.778 -5.161 1.00 0.10 H new ATOM 0 HA ILE A 104 9.008 -0.256 -4.142 1.00 0.11 H new ATOM 0 HB ILE A 104 11.568 1.304 -4.541 1.00 0.11 H new ATOM 0 HG12 ILE A 104 10.020 0.092 -2.230 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.668 -0.248 -2.718 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.620 3.152 -3.286 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.805 2.903 -4.848 1.00 0.15 H new ATOM 0 HG23 ILE A 104 9.022 2.369 -3.341 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.614 1.088 -0.684 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.354 2.004 -2.019 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.680 2.349 -1.523 1.00 0.17 H new ATOM 1197 N ASP A 105 9.879 0.814 -7.089 1.00 0.13 N ATOM 1198 CA ASP A 105 9.307 1.262 -8.351 1.00 0.16 C ATOM 1199 C ASP A 105 8.233 0.283 -8.776 1.00 0.14 C ATOM 1200 O ASP A 105 7.133 0.666 -9.165 1.00 0.17 O ATOM 1201 CB ASP A 105 10.369 1.343 -9.433 1.00 0.21 C ATOM 1202 CG ASP A 105 9.839 1.970 -10.709 1.00 0.36 C ATOM 1203 OD1 ASP A 105 9.760 3.216 -10.777 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.500 1.219 -11.651 1.00 0.44 O ATOM 0 H ASP A 105 10.867 0.564 -7.134 1.00 0.13 H new ATOM 0 HA ASP A 105 8.884 2.257 -8.211 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.214 1.926 -9.067 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.742 0.342 -9.650 1.00 0.21 H new ATOM 1209 N LYS A 106 8.580 -0.994 -8.672 1.00 0.13 N ATOM 1210 CA LYS A 106 7.650 -2.084 -8.930 1.00 0.13 C ATOM 1211 C LYS A 106 6.372 -1.910 -8.113 1.00 0.12 C ATOM 1212 O LYS A 106 5.271 -1.929 -8.661 1.00 0.14 O ATOM 1213 CB LYS A 106 8.298 -3.421 -8.563 1.00 0.14 C ATOM 1214 CG LYS A 106 9.402 -3.869 -9.493 1.00 0.16 C ATOM 1215 CD LYS A 106 10.297 -4.901 -8.824 1.00 0.18 C ATOM 1216 CE LYS A 106 11.188 -5.607 -9.828 1.00 0.22 C ATOM 1217 NZ LYS A 106 12.156 -6.537 -9.180 1.00 0.29 N ATOM 0 H LYS A 106 9.515 -1.302 -8.406 1.00 0.13 H new ATOM 0 HA LYS A 106 7.399 -2.072 -9.991 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.701 -3.348 -7.553 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.525 -4.189 -8.543 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.969 -4.292 -10.399 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.998 -3.008 -9.796 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.914 -4.413 -8.070 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.681 -5.635 -8.305 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.568 -6.165 -10.530 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.736 -4.864 -10.408 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.340 -7.343 -9.812 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 13.047 -6.035 -8.992 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.758 -6.884 -8.284 1.00 0.29 H new ATOM 1231 N LEU A 107 6.537 -1.704 -6.807 1.00 0.10 N ATOM 1232 CA LEU A 107 5.413 -1.549 -5.898 1.00 0.11 C ATOM 1233 C LEU A 107 4.618 -0.291 -6.225 1.00 0.10 C ATOM 1234 O LEU A 107 3.394 -0.336 -6.320 1.00 0.11 O ATOM 1235 CB LEU A 107 5.930 -1.530 -4.440 1.00 0.13 C ATOM 1236 CG LEU A 107 5.683 -0.252 -3.627 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.254 -0.179 -3.118 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.663 -0.169 -2.473 1.00 0.15 C ATOM 0 H LEU A 107 7.450 -1.641 -6.356 1.00 0.10 H new ATOM 0 HA LEU A 107 4.736 -2.395 -6.017 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.471 -2.363 -3.908 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.004 -1.716 -4.459 1.00 0.13 H new ATOM 0 HG LEU A 107 5.839 0.600 -4.288 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.118 0.739 -2.547 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.566 -0.186 -3.963 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.052 -1.038 -2.478 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.478 0.742 -1.903 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.535 -1.035 -1.824 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.682 -0.154 -2.861 1.00 0.15 H new ATOM 1250 N PHE A 108 5.311 0.816 -6.428 1.00 0.10 N ATOM 1251 CA PHE A 108 4.653 2.086 -6.691 1.00 0.11 C ATOM 1252 C PHE A 108 3.933 2.088 -8.033 1.00 0.12 C ATOM 1253 O PHE A 108 2.913 2.761 -8.191 1.00 0.14 O ATOM 1254 CB PHE A 108 5.641 3.247 -6.605 1.00 0.12 C ATOM 1255 CG PHE A 108 5.940 3.668 -5.192 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.076 3.332 -4.161 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.071 4.409 -4.894 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.333 3.724 -2.865 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.334 4.803 -3.594 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.462 4.459 -2.580 1.00 0.14 C ATOM 0 H PHE A 108 6.330 0.862 -6.416 1.00 0.10 H new ATOM 0 HA PHE A 108 3.899 2.220 -5.916 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.571 2.961 -7.096 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.239 4.099 -7.154 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.189 2.755 -4.377 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.755 4.682 -5.684 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.649 3.455 -2.073 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.220 5.379 -3.373 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.665 4.766 -1.565 1.00 0.14 H new ATOM 1270 N SER A 109 4.463 1.356 -8.996 1.00 0.13 N ATOM 1271 CA SER A 109 3.819 1.224 -10.290 1.00 0.14 C ATOM 1272 C SER A 109 2.575 0.344 -10.168 1.00 0.14 C ATOM 1273 O SER A 109 1.605 0.525 -10.900 1.00 0.16 O ATOM 1274 CB SER A 109 4.807 0.637 -11.297 1.00 0.17 C ATOM 1275 OG SER A 109 4.278 0.634 -12.612 1.00 1.14 O ATOM 0 H SER A 109 5.340 0.843 -8.906 1.00 0.13 H new ATOM 0 HA SER A 109 3.506 2.207 -10.643 1.00 0.14 H new ATOM 0 HB2 SER A 109 5.731 1.214 -11.278 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.062 -0.382 -11.005 1.00 0.17 H new ATOM 0 HG SER A 109 4.937 0.253 -13.229 1.00 1.14 H new ATOM 1281 N MET A 110 2.600 -0.588 -9.216 1.00 0.13 N ATOM 1282 CA MET A 110 1.466 -1.483 -8.983 1.00 0.14 C ATOM 1283 C MET A 110 0.199 -0.713 -8.669 1.00 0.14 C ATOM 1284 O MET A 110 -0.837 -0.949 -9.289 1.00 0.16 O ATOM 1285 CB MET A 110 1.730 -2.413 -7.817 1.00 0.13 C ATOM 1286 CG MET A 110 2.794 -3.456 -8.050 1.00 0.17 C ATOM 1287 SD MET A 110 2.846 -4.614 -6.681 1.00 0.23 S ATOM 1288 CE MET A 110 2.423 -3.509 -5.341 1.00 0.14 C ATOM 0 H MET A 110 3.393 -0.743 -8.593 1.00 0.13 H new ATOM 0 HA MET A 110 1.339 -2.052 -9.904 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.016 -1.813 -6.953 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.799 -2.919 -7.560 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.592 -3.990 -8.979 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.765 -2.975 -8.164 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.443 -4.056 -4.398 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.144 -2.692 -5.302 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.424 -3.104 -5.505 1.00 0.14 H new ATOM 1298 N LEU A 111 0.275 0.194 -7.689 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.898 0.964 -7.289 1.00 0.15 C ATOM 1300 C LEU A 111 -1.426 1.695 -8.495 1.00 0.17 C ATOM 1301 O LEU A 111 -2.614 1.690 -8.775 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.595 2.017 -6.210 1.00 0.17 C ATOM 1303 CG LEU A 111 0.218 1.584 -4.987 1.00 0.15 C ATOM 1304 CD1 LEU A 111 -0.043 0.131 -4.615 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.696 1.850 -5.216 1.00 0.15 C ATOM 0 H LEU A 111 1.125 0.408 -7.167 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.616 0.255 -6.877 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.065 2.841 -6.688 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.546 2.413 -5.855 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.108 2.183 -4.137 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.554 -0.134 -3.742 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -1.100 -0.001 -4.385 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.230 -0.513 -5.451 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.262 1.537 -4.339 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.036 1.289 -6.086 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.852 2.915 -5.388 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.503 2.287 -9.226 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.830 3.123 -10.358 1.00 0.22 C ATOM 1319 C LYS A 112 -1.439 2.309 -11.491 1.00 0.21 C ATOM 1320 O LYS A 112 -2.202 2.837 -12.297 1.00 0.24 O ATOM 1321 CB LYS A 112 0.424 3.830 -10.843 1.00 0.29 C ATOM 1322 CG LYS A 112 1.070 4.737 -9.807 1.00 0.36 C ATOM 1323 CD LYS A 112 2.156 5.574 -10.447 1.00 0.47 C ATOM 1324 CE LYS A 112 3.049 6.183 -9.400 1.00 1.22 C ATOM 1325 NZ LYS A 112 4.084 5.226 -8.931 1.00 1.82 N ATOM 0 H LYS A 112 0.498 2.200 -9.049 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.569 3.858 -10.040 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.151 3.081 -11.157 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.176 4.422 -11.724 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.316 5.386 -9.361 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.491 4.137 -9.000 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.748 4.955 -11.121 1.00 0.47 H new ATOM 0 HD3 LYS A 112 1.706 6.362 -11.050 1.00 0.47 H new ATOM 0 HE2 LYS A 112 3.533 7.071 -9.807 1.00 1.22 H new ATOM 0 HE3 LYS A 112 2.445 6.509 -8.553 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 4.730 5.708 -8.274 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 3.625 4.430 -8.444 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 4.622 4.869 -9.746 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.100 1.028 -11.552 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.679 0.146 -12.554 1.00 0.22 C ATOM 1341 C ASP A 113 -3.028 -0.328 -12.063 1.00 0.21 C ATOM 1342 O ASP A 113 -3.888 -0.769 -12.826 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.761 -1.044 -12.768 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.186 -1.920 -13.930 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -0.825 -1.609 -15.081 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.863 -2.944 -13.692 1.00 0.46 O ATOM 0 H ASP A 113 -0.432 0.580 -10.924 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.798 0.678 -13.498 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.254 -0.686 -12.942 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.735 -1.644 -11.858 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.187 -0.202 -10.766 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.427 -0.527 -10.119 1.00 0.17 C ATOM 1353 C GLY A 114 -4.282 -1.727 -9.216 1.00 0.15 C ATOM 1354 O GLY A 114 -4.474 -2.865 -9.649 1.00 0.18 O ATOM 0 H GLY A 114 -2.458 0.129 -10.134 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.770 0.328 -9.537 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.190 -0.727 -10.872 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.933 -1.482 -7.966 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.783 -2.546 -7.003 1.00 0.12 C ATOM 1360 C VAL A 115 -5.048 -2.635 -6.159 1.00 0.12 C ATOM 1361 O VAL A 115 -5.565 -1.625 -5.699 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.527 -2.325 -6.117 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.875 -2.205 -4.648 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.503 -3.420 -6.349 1.00 0.14 C ATOM 0 H VAL A 115 -3.748 -0.549 -7.597 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.639 -3.490 -7.529 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.086 -1.374 -6.416 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.964 -2.052 -4.070 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.545 -1.358 -4.501 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.367 -3.119 -4.315 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.632 -3.244 -5.717 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.941 -4.387 -6.101 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.199 -3.418 -7.396 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.570 -3.827 -5.993 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.777 -4.006 -5.224 1.00 0.13 C ATOM 1376 C VAL A 116 -6.469 -4.632 -3.871 1.00 0.10 C ATOM 1377 O VAL A 116 -5.777 -5.647 -3.771 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.828 -4.830 -5.998 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.255 -6.138 -6.497 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -9.073 -5.059 -5.151 1.00 0.23 C ATOM 0 H VAL A 116 -5.178 -4.686 -6.380 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.207 -3.020 -5.049 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.120 -4.251 -6.874 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -8.024 -6.690 -7.037 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.417 -5.937 -7.164 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.910 -6.731 -5.650 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.798 -5.642 -5.720 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.802 -5.601 -4.245 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.512 -4.098 -4.882 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.949 -3.966 -2.840 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.790 -4.408 -1.468 1.00 0.11 C ATOM 1392 C LEU A 117 -7.817 -5.505 -1.189 1.00 0.12 C ATOM 1393 O LEU A 117 -9.007 -5.288 -1.398 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.978 -3.201 -0.537 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.790 -2.209 -0.446 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.998 -2.120 -1.742 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.291 -0.824 -0.067 1.00 0.24 C ATOM 0 H LEU A 117 -7.467 -3.092 -2.932 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.795 -4.818 -1.295 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.859 -2.650 -0.866 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.190 -3.573 0.465 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.120 -2.592 0.324 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.179 -1.411 -1.620 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.594 -3.102 -1.990 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.652 -1.783 -2.546 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.448 -0.136 -0.006 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.993 -0.472 -0.823 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.792 -0.870 0.900 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.339 -6.674 -0.734 1.00 0.14 N ATOM 1410 CA LYS A 118 -8.145 -7.897 -0.602 1.00 0.18 C ATOM 1411 C LYS A 118 -7.225 -9.110 -0.689 1.00 0.22 C ATOM 1412 O LYS A 118 -6.090 -9.007 -1.149 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.232 -8.026 -1.690 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.633 -7.625 -1.226 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.663 -7.784 -2.330 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.491 -6.741 -3.416 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.184 -7.128 -4.672 1.00 0.80 N ATOM 0 H LYS A 118 -6.369 -6.797 -0.444 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.651 -7.843 0.362 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.953 -7.407 -2.542 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.259 -9.058 -2.041 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.921 -8.236 -0.371 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.621 -6.589 -0.888 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.578 -8.780 -2.766 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.664 -7.706 -1.907 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.881 -5.785 -3.066 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.429 -6.598 -3.617 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.000 -6.413 -5.405 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -11.831 -8.052 -4.993 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.208 -7.190 -4.499 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.718 -10.250 -0.248 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.955 -11.474 -0.348 1.00 0.38 C ATOM 1433 C GLY A 119 -7.770 -12.671 0.077 1.00 0.53 C ATOM 1434 O GLY A 119 -8.946 -12.777 -0.270 1.00 0.85 O ATOM 0 H GLY A 119 -8.638 -10.353 0.180 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -6.616 -11.610 -1.375 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -6.063 -11.400 0.275 1.00 0.38 H new ATOM 1438 N ASN A 120 -7.159 -13.560 0.838 1.00 0.81 N ATOM 1439 CA ASN A 120 -7.849 -14.739 1.332 1.00 1.02 C ATOM 1440 C ASN A 120 -7.505 -14.966 2.793 1.00 1.10 C ATOM 1441 O ASN A 120 -6.388 -14.672 3.221 1.00 1.88 O ATOM 1442 CB ASN A 120 -7.484 -15.981 0.501 1.00 1.16 C ATOM 1443 CG ASN A 120 -6.023 -16.389 0.634 1.00 1.84 C ATOM 1444 OD1 ASN A 120 -5.660 -17.165 1.518 1.00 2.57 O ATOM 1445 ND2 ASN A 120 -5.178 -15.884 -0.255 1.00 2.43 N ATOM 0 H ASN A 120 -6.184 -13.488 1.128 1.00 0.81 H new ATOM 0 HA ASN A 120 -8.922 -14.573 1.238 1.00 1.02 H new ATOM 0 HB2 ASN A 120 -8.116 -16.814 0.809 1.00 1.16 H new ATOM 0 HB3 ASN A 120 -7.705 -15.785 -0.548 1.00 1.16 H new ATOM 0 HD21 ASN A 120 -4.190 -16.136 -0.220 1.00 2.43 H new ATOM 0 HD22 ASN A 120 -5.516 -15.244 -0.973 1.00 2.43 H new ATOM 1452 N LYS A 121 -8.486 -15.446 3.555 1.00 1.04 N ATOM 1453 CA LYS A 121 -8.282 -15.824 4.953 1.00 1.09 C ATOM 1454 C LYS A 121 -7.893 -14.611 5.811 1.00 0.92 C ATOM 1455 O LYS A 121 -7.320 -14.748 6.893 1.00 1.18 O ATOM 1456 CB LYS A 121 -7.210 -16.922 5.026 1.00 1.36 C ATOM 1457 CG LYS A 121 -7.057 -17.587 6.386 1.00 2.03 C ATOM 1458 CD LYS A 121 -5.958 -18.635 6.350 1.00 2.73 C ATOM 1459 CE LYS A 121 -4.637 -18.039 5.885 1.00 3.45 C ATOM 1460 NZ LYS A 121 -3.636 -19.090 5.580 1.00 4.18 N ATOM 0 H LYS A 121 -9.441 -15.584 3.223 1.00 1.04 H new ATOM 0 HA LYS A 121 -9.219 -16.209 5.357 1.00 1.09 H new ATOM 0 HB2 LYS A 121 -7.447 -17.689 4.289 1.00 1.36 H new ATOM 0 HB3 LYS A 121 -6.251 -16.491 4.740 1.00 1.36 H new ATOM 0 HG2 LYS A 121 -6.825 -16.835 7.140 1.00 2.03 H new ATOM 0 HG3 LYS A 121 -7.999 -18.051 6.678 1.00 2.03 H new ATOM 0 HD2 LYS A 121 -5.834 -19.068 7.342 1.00 2.73 H new ATOM 0 HD3 LYS A 121 -6.248 -19.446 5.682 1.00 2.73 H new ATOM 0 HE2 LYS A 121 -4.806 -17.429 4.997 1.00 3.45 H new ATOM 0 HE3 LYS A 121 -4.245 -17.377 6.657 1.00 3.45 H new ATOM 0 HZ1 LYS A 121 -2.750 -18.645 5.267 1.00 4.18 H new ATOM 0 HZ2 LYS A 121 -3.456 -19.656 6.434 1.00 4.18 H new ATOM 0 HZ3 LYS A 121 -3.999 -19.707 4.826 1.00 4.18 H new ATOM 1474 N ILE A 122 -8.210 -13.422 5.329 1.00 0.77 N ATOM 1475 CA ILE A 122 -7.925 -12.212 6.078 1.00 0.69 C ATOM 1476 C ILE A 122 -9.222 -11.444 6.327 1.00 0.99 C ATOM 1477 O ILE A 122 -10.121 -11.460 5.491 1.00 1.44 O ATOM 1478 CB ILE A 122 -6.876 -11.317 5.355 1.00 0.74 C ATOM 1479 CG1 ILE A 122 -6.262 -10.337 6.349 1.00 1.04 C ATOM 1480 CG2 ILE A 122 -7.477 -10.562 4.167 1.00 0.55 C ATOM 1481 CD1 ILE A 122 -5.536 -11.020 7.490 1.00 1.60 C ATOM 0 H ILE A 122 -8.662 -13.269 4.428 1.00 0.77 H new ATOM 0 HA ILE A 122 -7.490 -12.498 7.036 1.00 0.69 H new ATOM 0 HB ILE A 122 -6.101 -11.972 4.958 1.00 0.74 H new ATOM 0 HG12 ILE A 122 -5.565 -9.684 5.823 1.00 1.04 H new ATOM 0 HG13 ILE A 122 -7.049 -9.702 6.756 1.00 1.04 H new ATOM 0 HG21 ILE A 122 -6.706 -9.952 3.696 1.00 0.55 H new ATOM 0 HG22 ILE A 122 -7.868 -11.276 3.442 1.00 0.55 H new ATOM 0 HG23 ILE A 122 -8.286 -9.919 4.516 1.00 0.55 H new ATOM 0 HD11 ILE A 122 -5.123 -10.267 8.161 1.00 1.60 H new ATOM 0 HD12 ILE A 122 -6.234 -11.651 8.039 1.00 1.60 H new ATOM 0 HD13 ILE A 122 -4.728 -11.634 7.092 1.00 1.60 H new ATOM 1493 N ASN A 123 -9.347 -10.835 7.499 1.00 1.13 N ATOM 1494 CA ASN A 123 -10.528 -10.028 7.813 1.00 1.52 C ATOM 1495 C ASN A 123 -10.148 -8.766 8.576 1.00 1.43 C ATOM 1496 O ASN A 123 -11.016 -7.973 8.948 1.00 2.17 O ATOM 1497 CB ASN A 123 -11.542 -10.824 8.647 1.00 1.98 C ATOM 1498 CG ASN A 123 -12.133 -12.009 7.910 1.00 2.54 C ATOM 1499 OD1 ASN A 123 -11.648 -13.135 8.032 1.00 2.76 O ATOM 1500 ND2 ASN A 123 -13.176 -11.760 7.131 1.00 3.41 N ATOM 0 H ASN A 123 -8.653 -10.881 8.245 1.00 1.13 H new ATOM 0 HA ASN A 123 -10.982 -9.752 6.861 1.00 1.52 H new ATOM 0 HB2 ASN A 123 -11.055 -11.178 9.556 1.00 1.98 H new ATOM 0 HB3 ASN A 123 -12.349 -10.159 8.955 1.00 1.98 H new ATOM 0 HD21 ASN A 123 -13.610 -12.517 6.602 1.00 3.41 H new ATOM 0 HD22 ASN A 123 -13.545 -10.812 7.060 1.00 3.41 H new ATOM 1507 N ASP A 124 -8.857 -8.579 8.808 1.00 0.91 N ATOM 1508 CA ASP A 124 -8.389 -7.477 9.646 1.00 0.83 C ATOM 1509 C ASP A 124 -7.093 -6.873 9.124 1.00 0.67 C ATOM 1510 O ASP A 124 -6.503 -6.006 9.767 1.00 0.85 O ATOM 1511 CB ASP A 124 -8.174 -7.967 11.079 1.00 1.15 C ATOM 1512 CG ASP A 124 -7.302 -9.211 11.147 1.00 1.69 C ATOM 1513 OD1 ASP A 124 -6.170 -9.182 10.625 1.00 2.29 O ATOM 1514 OD2 ASP A 124 -7.752 -10.226 11.718 1.00 2.09 O ATOM 0 H ASP A 124 -8.116 -9.170 8.432 1.00 0.91 H new ATOM 0 HA ASP A 124 -9.156 -6.703 9.623 1.00 0.83 H new ATOM 0 HB2 ASP A 124 -7.713 -7.172 11.666 1.00 1.15 H new ATOM 0 HB3 ASP A 124 -9.141 -8.180 11.535 1.00 1.15 H new ATOM 1519 N THR A 125 -6.652 -7.326 7.966 1.00 0.54 N ATOM 1520 CA THR A 125 -5.386 -6.883 7.413 1.00 0.40 C ATOM 1521 C THR A 125 -5.522 -6.602 5.914 1.00 0.29 C ATOM 1522 O THR A 125 -6.309 -7.251 5.218 1.00 0.34 O ATOM 1523 CB THR A 125 -4.291 -7.936 7.671 1.00 0.39 C ATOM 1524 OG1 THR A 125 -4.164 -8.181 9.082 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.957 -7.481 7.118 1.00 0.37 C ATOM 0 H THR A 125 -7.153 -8.002 7.389 1.00 0.54 H new ATOM 0 HA THR A 125 -5.097 -5.956 7.908 1.00 0.40 H new ATOM 0 HB THR A 125 -4.583 -8.855 7.164 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.985 -8.598 9.417 1.00 0.51 H new ATOM 0 HG21 THR A 125 -2.203 -8.243 7.314 1.00 0.37 H new ATOM 0 HG22 THR A 125 -3.043 -7.324 6.043 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.663 -6.548 7.598 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.759 -5.631 5.428 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.872 -5.179 4.051 1.00 0.15 C ATOM 1535 C ILE A 126 -3.836 -5.867 3.174 1.00 0.14 C ATOM 1536 O ILE A 126 -2.694 -6.054 3.584 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.675 -3.656 3.952 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.224 -2.973 5.215 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.378 -3.131 2.712 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.115 -1.463 5.221 1.00 0.16 C ATOM 0 H ILE A 126 -4.051 -5.140 5.973 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.873 -5.435 3.705 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.611 -3.432 3.874 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.272 -3.248 5.333 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.693 -3.365 6.082 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.238 -2.052 2.643 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.959 -3.609 1.826 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.443 -3.355 2.775 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.528 -1.072 6.151 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.067 -1.174 5.139 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.671 -1.055 4.377 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.230 -6.235 1.967 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.345 -6.960 1.069 1.00 0.12 C ATOM 1554 C LEU A 127 -3.341 -6.301 -0.304 1.00 0.11 C ATOM 1555 O LEU A 127 -4.371 -5.825 -0.769 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.785 -8.425 0.975 1.00 0.15 C ATOM 1557 CG LEU A 127 -4.099 -9.066 2.324 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.787 -10.412 2.144 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.819 -9.211 3.123 1.00 0.20 C ATOM 0 H LEU A 127 -5.157 -6.044 1.585 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.329 -6.932 1.462 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.668 -8.488 0.340 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.998 -8.999 0.486 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.787 -8.422 2.871 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.999 -10.846 3.121 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.720 -10.273 1.598 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -4.135 -11.082 1.583 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -3.042 -9.669 4.087 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -2.118 -9.841 2.576 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.376 -8.228 3.282 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.177 -6.267 -0.930 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.986 -5.547 -2.194 1.00 0.11 C ATOM 1573 C ILE A 128 -1.849 -6.511 -3.379 1.00 0.13 C ATOM 1574 O ILE A 128 -0.861 -7.243 -3.492 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.732 -4.644 -2.129 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.906 -3.545 -1.085 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.424 -4.039 -3.484 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.304 -2.649 -0.949 1.00 0.12 C ATOM 0 H ILE A 128 -1.337 -6.732 -0.585 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.872 -4.931 -2.345 1.00 0.11 H new ATOM 0 HB ILE A 128 0.111 -5.270 -1.835 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.771 -2.937 -1.349 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.121 -4.002 -0.119 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.462 -3.409 -3.408 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.242 -4.836 -4.205 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.270 -3.436 -3.814 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.112 -1.890 -0.190 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.167 -3.246 -0.655 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.507 -2.164 -1.904 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.822 -6.483 -4.280 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.861 -7.406 -5.393 1.00 0.19 C ATOM 1592 C GLU A 129 -3.126 -6.663 -6.707 1.00 0.17 C ATOM 1593 O GLU A 129 -3.926 -5.733 -6.744 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.963 -8.437 -5.138 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.654 -8.905 -6.398 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.614 -10.047 -6.152 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.147 -11.162 -5.837 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.836 -9.836 -6.263 1.00 0.71 O ATOM 0 H GLU A 129 -3.599 -5.822 -4.256 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.897 -7.906 -5.481 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.532 -9.299 -4.628 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.704 -8.006 -4.465 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -5.197 -8.070 -6.841 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.903 -9.218 -7.124 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.454 -7.067 -7.779 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.759 -6.556 -9.114 1.00 0.21 C ATOM 1607 C LYS A 130 -2.318 -7.574 -10.163 1.00 0.29 C ATOM 1608 O LYS A 130 -1.290 -8.235 -9.995 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.168 -5.136 -9.369 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.646 -4.985 -9.284 1.00 0.19 C ATOM 1611 CD LYS A 130 0.040 -5.382 -10.575 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.108 -4.269 -11.587 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.368 -4.649 -12.942 1.00 0.39 N ATOM 0 H LYS A 130 -1.694 -7.747 -7.752 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.838 -6.426 -9.191 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.485 -4.811 -10.360 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.616 -4.450 -8.650 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.398 -3.951 -9.045 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.266 -5.600 -8.468 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.095 -5.583 -10.392 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.397 -6.302 -10.964 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.156 -3.975 -11.645 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.449 -3.397 -11.244 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.691 -3.799 -13.447 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.156 -5.322 -12.857 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 -0.410 -5.092 -13.472 1.00 0.39 H new ATOM 1627 N ASP A 131 -3.136 -7.719 -11.208 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.930 -8.723 -12.263 1.00 0.49 C ATOM 1629 C ASP A 131 -3.282 -10.127 -11.786 1.00 0.47 C ATOM 1630 O ASP A 131 -2.672 -11.110 -12.211 1.00 0.52 O ATOM 1631 CB ASP A 131 -1.506 -8.692 -12.827 1.00 0.55 C ATOM 1632 CG ASP A 131 -1.363 -7.684 -13.942 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -1.336 -6.475 -13.651 1.00 1.13 O ATOM 1634 OD2 ASP A 131 -1.295 -8.095 -15.118 1.00 1.03 O ATOM 0 H ASP A 131 -3.965 -7.142 -11.350 1.00 0.38 H new ATOM 0 HA ASP A 131 -3.611 -8.456 -13.071 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.804 -8.451 -12.028 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -1.241 -9.682 -13.197 1.00 0.55 H new ATOM 1639 N GLY A 132 -4.275 -10.214 -10.908 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.809 -11.507 -10.514 1.00 0.51 C ATOM 1641 C GLY A 132 -3.959 -12.232 -9.489 1.00 0.45 C ATOM 1642 O GLY A 132 -4.037 -13.454 -9.371 1.00 0.52 O ATOM 0 H GLY A 132 -4.721 -9.413 -10.461 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.811 -11.368 -10.109 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.908 -12.134 -11.400 1.00 0.51 H new ATOM 1646 N GLU A 133 -3.144 -11.491 -8.757 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.336 -12.073 -7.694 1.00 0.45 C ATOM 1648 C GLU A 133 -1.845 -10.990 -6.754 1.00 0.33 C ATOM 1649 O GLU A 133 -1.664 -9.833 -7.148 1.00 0.30 O ATOM 1650 CB GLU A 133 -1.127 -12.833 -8.237 1.00 0.54 C ATOM 1651 CG GLU A 133 -0.001 -11.914 -8.660 1.00 0.56 C ATOM 1652 CD GLU A 133 1.238 -12.649 -9.115 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.114 -13.683 -9.798 1.00 1.31 O ATOM 1654 OE2 GLU A 133 2.352 -12.178 -8.797 1.00 1.24 O ATOM 0 H GLU A 133 -3.023 -10.485 -8.878 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.976 -12.777 -7.163 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.762 -13.520 -7.474 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -1.436 -13.438 -9.089 1.00 0.54 H new ATOM 0 HG2 GLU A 133 -0.351 -11.272 -9.469 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.259 -11.262 -7.826 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.637 -11.378 -5.518 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.095 -10.484 -4.514 1.00 0.24 C ATOM 1663 C VAL A 134 0.423 -10.489 -4.608 1.00 0.22 C ATOM 1664 O VAL A 134 1.046 -11.539 -4.741 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.539 -10.873 -3.083 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.106 -12.275 -2.760 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.008 -9.897 -2.047 1.00 0.21 C ATOM 0 H VAL A 134 -1.837 -12.319 -5.178 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.482 -9.484 -4.709 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.628 -10.827 -3.051 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.427 -12.531 -1.750 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.557 -12.968 -3.471 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.020 -12.344 -2.824 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.340 -10.203 -1.055 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.082 -9.890 -2.079 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.384 -8.897 -2.263 1.00 0.21 H new ATOM 1677 N LYS A 135 1.012 -9.314 -4.585 1.00 0.19 N ATOM 1678 CA LYS A 135 2.458 -9.200 -4.654 1.00 0.21 C ATOM 1679 C LYS A 135 2.980 -8.326 -3.528 1.00 0.17 C ATOM 1680 O LYS A 135 4.189 -8.194 -3.342 1.00 0.18 O ATOM 1681 CB LYS A 135 2.903 -8.652 -6.014 1.00 0.29 C ATOM 1682 CG LYS A 135 1.940 -7.652 -6.625 1.00 0.34 C ATOM 1683 CD LYS A 135 1.048 -8.293 -7.682 1.00 0.29 C ATOM 1684 CE LYS A 135 1.786 -8.497 -9.004 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.856 -9.532 -8.921 1.00 1.03 N ATOM 0 H LYS A 135 0.517 -8.425 -4.519 1.00 0.19 H new ATOM 0 HA LYS A 135 2.880 -10.198 -4.539 1.00 0.21 H new ATOM 0 HB2 LYS A 135 3.878 -8.178 -5.901 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.031 -9.485 -6.705 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.319 -7.220 -5.840 1.00 0.34 H new ATOM 0 HG3 LYS A 135 2.503 -6.833 -7.073 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.686 -9.254 -7.317 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.173 -7.665 -7.848 1.00 0.29 H new ATOM 0 HE2 LYS A 135 1.069 -8.784 -9.773 1.00 0.52 H new ATOM 0 HE3 LYS A 135 2.227 -7.551 -9.317 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 3.217 -9.736 -9.875 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.633 -9.181 -8.325 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 2.466 -10.402 -8.505 1.00 1.03 H new ATOM 1699 N LEU A 136 2.061 -7.760 -2.764 1.00 0.14 N ATOM 1700 CA LEU A 136 2.409 -6.894 -1.661 1.00 0.14 C ATOM 1701 C LEU A 136 1.313 -6.966 -0.601 1.00 0.14 C ATOM 1702 O LEU A 136 0.211 -7.409 -0.890 1.00 0.14 O ATOM 1703 CB LEU A 136 2.536 -5.473 -2.184 1.00 0.14 C ATOM 1704 CG LEU A 136 3.662 -4.639 -1.593 1.00 0.13 C ATOM 1705 CD1 LEU A 136 5.025 -5.284 -1.823 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.619 -3.254 -2.201 1.00 0.14 C ATOM 0 H LEU A 136 1.058 -7.890 -2.894 1.00 0.14 H new ATOM 0 HA LEU A 136 3.354 -7.206 -1.215 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.672 -5.516 -3.265 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.594 -4.955 -2.002 1.00 0.14 H new ATOM 0 HG LEU A 136 3.519 -4.575 -0.514 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.802 -4.657 -1.386 1.00 0.16 H new ATOM 0 HD12 LEU A 136 5.046 -6.268 -1.354 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.202 -5.388 -2.893 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.423 -2.648 -1.783 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.743 -3.327 -3.281 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.660 -2.788 -1.977 1.00 0.14 H new ATOM 1718 N LYS A 137 1.606 -6.566 0.625 1.00 0.17 N ATOM 1719 CA LYS A 137 0.579 -6.509 1.662 1.00 0.20 C ATOM 1720 C LYS A 137 0.797 -5.309 2.562 1.00 0.18 C ATOM 1721 O LYS A 137 1.895 -4.759 2.620 1.00 0.22 O ATOM 1722 CB LYS A 137 0.586 -7.764 2.544 1.00 0.31 C ATOM 1723 CG LYS A 137 0.789 -9.073 1.802 1.00 0.35 C ATOM 1724 CD LYS A 137 0.505 -10.269 2.695 1.00 0.28 C ATOM 1725 CE LYS A 137 1.400 -10.263 3.931 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.786 -11.636 4.355 1.00 0.76 N ATOM 0 H LYS A 137 2.536 -6.278 0.929 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.378 -6.435 1.146 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.375 -7.661 3.289 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.359 -7.814 3.085 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.134 -9.104 0.931 1.00 0.35 H new ATOM 0 HG3 LYS A 137 1.813 -9.128 1.433 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.541 -10.257 3.001 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.662 -11.190 2.134 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.299 -9.683 3.723 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.881 -9.764 4.750 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.705 -11.604 4.841 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 1.065 -12.015 5.002 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 1.858 -12.250 3.519 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.255 -4.909 3.258 1.00 0.18 N ATOM 1741 CA LEU A 138 -0.130 -3.978 4.359 1.00 0.20 C ATOM 1742 C LEU A 138 -0.256 -4.770 5.642 1.00 0.21 C ATOM 1743 O LEU A 138 -1.337 -5.253 5.968 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.195 -2.869 4.307 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.212 -1.986 3.047 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.198 -1.619 2.588 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.993 -2.655 1.928 1.00 0.17 C ATOM 0 H LEU A 138 -1.209 -5.219 3.075 1.00 0.18 H new ATOM 0 HA LEU A 138 0.837 -3.478 4.299 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.176 -3.334 4.410 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -1.056 -2.223 5.174 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.717 -1.056 3.309 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.139 -0.995 1.696 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.708 -1.071 3.381 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.754 -2.528 2.359 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.991 -2.012 1.048 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.529 -3.610 1.681 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -3.020 -2.824 2.252 1.00 0.17 H new ATOM 1759 N ILE A 139 0.866 -4.907 6.349 1.00 0.27 N ATOM 1760 CA ILE A 139 0.984 -5.755 7.527 1.00 0.30 C ATOM 1761 C ILE A 139 1.071 -7.231 7.126 1.00 0.37 C ATOM 1762 O ILE A 139 0.537 -7.650 6.096 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.183 -5.603 8.521 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.633 -4.153 8.684 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.254 -6.150 9.854 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.016 -4.044 9.265 1.00 0.41 C ATOM 0 H ILE A 139 1.731 -4.422 6.112 1.00 0.27 H new ATOM 0 HA ILE A 139 1.897 -5.425 8.024 1.00 0.30 H new ATOM 0 HB ILE A 139 -1.036 -6.156 8.128 1.00 0.27 H new ATOM 0 HG12 ILE A 139 0.071 -3.627 9.328 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.609 -3.657 7.714 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.560 -6.051 10.572 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.518 -7.202 9.747 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.121 -5.593 10.209 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.289 -2.993 9.361 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.727 -4.545 8.608 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.036 -4.515 10.248 1.00 0.41 H new ATOM 1778 N ARG A 140 1.746 -8.022 7.951 1.00 0.48 N ATOM 1779 CA ARG A 140 1.854 -9.454 7.717 1.00 0.67 C ATOM 1780 C ARG A 140 0.689 -10.199 8.381 1.00 0.78 C ATOM 1781 O ARG A 140 0.892 -11.079 9.220 1.00 1.21 O ATOM 1782 CB ARG A 140 3.195 -9.988 8.233 1.00 0.85 C ATOM 1783 CG ARG A 140 3.426 -9.752 9.719 1.00 1.60 C ATOM 1784 CD ARG A 140 4.393 -10.778 10.291 1.00 1.87 C ATOM 1785 NE ARG A 140 4.026 -12.138 9.889 1.00 2.73 N ATOM 1786 CZ ARG A 140 3.335 -12.989 10.648 1.00 3.53 C ATOM 1787 NH1 ARG A 140 3.009 -12.667 11.894 1.00 3.68 N ATOM 1788 NH2 ARG A 140 2.987 -14.172 10.158 1.00 4.55 N ATOM 0 H ARG A 140 2.227 -7.694 8.789 1.00 0.48 H new ATOM 0 HA ARG A 140 1.806 -9.628 6.642 1.00 0.67 H new ATOM 0 HB2 ARG A 140 3.249 -11.058 8.033 1.00 0.85 H new ATOM 0 HB3 ARG A 140 4.002 -9.517 7.671 1.00 0.85 H new ATOM 0 HG2 ARG A 140 3.822 -8.748 9.874 1.00 1.60 H new ATOM 0 HG3 ARG A 140 2.476 -9.806 10.251 1.00 1.60 H new ATOM 0 HD2 ARG A 140 5.405 -10.557 9.951 1.00 1.87 H new ATOM 0 HD3 ARG A 140 4.400 -10.707 11.379 1.00 1.87 H new ATOM 0 HE ARG A 140 4.319 -12.456 8.965 1.00 2.73 H new ATOM 0 HH11 ARG A 140 3.287 -11.763 12.277 1.00 3.68 H new ATOM 0 HH12 ARG A 140 2.480 -13.323 12.469 1.00 3.68 H new ATOM 0 HH21 ARG A 140 3.248 -14.426 9.205 1.00 4.55 H new ATOM 0 HH22 ARG A 140 2.458 -14.827 10.734 1.00 4.55 H new ATOM 1802 N GLY A 141 -0.531 -9.829 8.009 1.00 1.19 N ATOM 1803 CA GLY A 141 -1.712 -10.471 8.569 1.00 1.54 C ATOM 1804 C GLY A 141 -1.774 -11.949 8.262 1.00 1.15 C ATOM 1805 O GLY A 141 -2.037 -12.774 9.139 1.00 1.76 O ATOM 0 H GLY A 141 -0.727 -9.095 7.328 1.00 1.19 H new ATOM 0 HA2 GLY A 141 -1.720 -10.328 9.650 1.00 1.54 H new ATOM 0 HA3 GLY A 141 -2.605 -9.985 8.176 1.00 1.54 H new ATOM 1809 N ILE A 142 -1.542 -12.266 7.012 1.00 1.02 N ATOM 1810 CA ILE A 142 -1.478 -13.635 6.558 1.00 0.99 C ATOM 1811 C ILE A 142 -0.025 -14.088 6.451 1.00 1.77 C ATOM 1812 O ILE A 142 0.673 -13.630 5.524 1.00 2.58 O ATOM 1813 CB ILE A 142 -2.181 -13.810 5.196 1.00 0.74 C ATOM 1814 CG1 ILE A 142 -1.812 -12.673 4.235 1.00 0.77 C ATOM 1815 CG2 ILE A 142 -3.689 -13.897 5.382 1.00 0.92 C ATOM 1816 CD1 ILE A 142 -2.283 -12.897 2.816 1.00 0.84 C ATOM 1817 OXT ILE A 142 0.417 -14.884 7.299 1.00 2.21 O ATOM 0 H ILE A 142 -1.391 -11.577 6.275 1.00 1.02 H new ATOM 0 HA ILE A 142 -1.997 -14.252 7.291 1.00 0.99 H new ATOM 0 HB ILE A 142 -1.836 -14.744 4.753 1.00 0.74 H new ATOM 0 HG12 ILE A 142 -2.240 -11.742 4.607 1.00 0.77 H new ATOM 0 HG13 ILE A 142 -0.729 -12.548 4.233 1.00 0.77 H new ATOM 0 HG21 ILE A 142 -4.169 -14.020 4.411 1.00 0.92 H new ATOM 0 HG22 ILE A 142 -3.929 -14.750 6.016 1.00 0.92 H new ATOM 0 HG23 ILE A 142 -4.051 -12.983 5.852 1.00 0.92 H new ATOM 0 HD11 ILE A 142 -1.985 -12.051 2.196 1.00 0.84 H new ATOM 0 HD12 ILE A 142 -1.835 -13.810 2.424 1.00 0.84 H new ATOM 0 HD13 ILE A 142 -3.369 -12.991 2.804 1.00 0.84 H new TER 1829 ILE A 142 HETATM 1830 C ACE B 552 -16.622 -3.977 5.490 1.00 0.85 C HETATM 1831 O ACE B 552 -17.765 -3.552 5.652 1.00 1.24 O HETATM 1832 CH3 ACE B 552 -15.490 -3.509 6.366 1.00 1.00 C HETATM 0 H1 ACE B 552 -15.058 -4.362 6.889 1.00 1.00 H new HETATM 0 H2 ACE B 552 -14.725 -3.035 5.750 1.00 1.00 H new HETATM 0 H3 ACE B 552 -15.866 -2.790 7.094 1.00 1.00 H new ATOM 1836 N SER B 553 -16.307 -4.859 4.549 1.00 0.66 N ATOM 1837 CA SER B 553 -17.303 -5.399 3.627 1.00 0.51 C ATOM 1838 C SER B 553 -16.821 -6.728 3.052 1.00 0.44 C ATOM 1839 O SER B 553 -17.597 -7.663 2.860 1.00 0.54 O ATOM 1840 CB SER B 553 -17.581 -4.414 2.485 1.00 0.54 C ATOM 1841 OG SER B 553 -17.936 -3.133 2.980 1.00 1.14 O ATOM 0 H SER B 553 -15.364 -5.218 4.403 1.00 0.66 H new ATOM 0 HA SER B 553 -18.227 -5.559 4.182 1.00 0.51 H new ATOM 0 HB2 SER B 553 -16.697 -4.329 1.853 1.00 0.54 H new ATOM 0 HB3 SER B 553 -18.385 -4.799 1.858 1.00 0.54 H new ATOM 0 HG SER B 553 -18.105 -2.527 2.228 1.00 1.14 H new ATOM 1847 N GLU B 554 -15.524 -6.799 2.797 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.915 -7.968 2.185 1.00 0.33 C ATOM 1849 C GLU B 554 -13.751 -8.454 3.054 1.00 0.35 C ATOM 1850 O GLU B 554 -13.525 -7.908 4.136 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.463 -7.583 0.772 1.00 0.32 C ATOM 1852 CG GLU B 554 -14.073 -8.744 -0.121 1.00 0.29 C ATOM 1853 CD GLU B 554 -15.002 -9.934 -0.003 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -14.751 -10.791 0.866 1.00 0.63 O ATOM 1855 OE2 GLU B 554 -15.967 -10.021 -0.782 1.00 0.65 O ATOM 0 H GLU B 554 -14.866 -6.049 3.008 1.00 0.36 H new ATOM 0 HA GLU B 554 -15.625 -8.792 2.111 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.268 -7.029 0.289 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.613 -6.906 0.852 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -14.058 -8.406 -1.157 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.059 -9.058 0.127 1.00 0.29 H new ATOM 1862 N THR B 555 -13.047 -9.485 2.592 1.00 0.33 N ATOM 1863 CA THR B 555 -11.862 -10.014 3.254 1.00 0.35 C ATOM 1864 C THR B 555 -10.930 -8.869 3.661 1.00 0.34 C ATOM 1865 O THR B 555 -10.385 -8.839 4.763 1.00 0.45 O ATOM 1866 CB THR B 555 -11.154 -11.017 2.301 1.00 0.36 C ATOM 1867 OG1 THR B 555 -10.017 -11.614 2.923 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.733 -10.341 1.005 1.00 0.30 C ATOM 0 H THR B 555 -13.289 -9.982 1.735 1.00 0.33 H new ATOM 0 HA THR B 555 -12.147 -10.542 4.164 1.00 0.35 H new ATOM 0 HB THR B 555 -11.876 -11.801 2.071 1.00 0.36 H new ATOM 0 HG1 THR B 555 -10.247 -11.881 3.838 1.00 0.45 H new ATOM 0 HG21 THR B 555 -10.241 -11.068 0.359 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.613 -9.944 0.499 1.00 0.30 H new ATOM 0 HG23 THR B 555 -10.043 -9.527 1.227 1.00 0.30 H new ATOM 1876 N THR B 556 -10.807 -7.903 2.776 1.00 0.26 N ATOM 1877 CA THR B 556 -10.111 -6.678 3.069 1.00 0.23 C ATOM 1878 C THR B 556 -10.913 -5.521 2.510 1.00 0.21 C ATOM 1879 O THR B 556 -11.277 -4.590 3.226 1.00 0.22 O ATOM 1880 CB THR B 556 -8.715 -6.663 2.437 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.914 -7.735 2.950 1.00 0.24 O ATOM 1882 CG2 THR B 556 -8.036 -5.336 2.690 1.00 0.20 C ATOM 0 H THR B 556 -11.190 -7.950 1.832 1.00 0.26 H new ATOM 0 HA THR B 556 -9.999 -6.593 4.150 1.00 0.23 H new ATOM 0 HB THR B 556 -8.826 -6.801 1.361 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.412 -7.423 3.732 1.00 0.24 H new ATOM 0 HG21 THR B 556 -7.046 -5.341 2.235 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.631 -4.534 2.254 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.941 -5.175 3.764 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.209 -5.635 1.219 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.962 -4.643 0.479 1.00 0.19 C ATOM 1892 C LEU B 557 -11.132 -3.387 0.285 1.00 0.17 C ATOM 1893 O LEU B 557 -9.918 -3.477 0.196 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.286 -4.320 1.166 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.485 -4.272 0.232 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.247 -2.990 0.478 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -14.046 -4.412 -1.228 1.00 0.20 C ATOM 0 H LEU B 557 -10.925 -6.435 0.653 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.196 -5.060 -0.501 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.472 -5.067 1.938 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.195 -3.357 1.669 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.147 -5.113 0.437 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.109 -2.946 -0.187 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.586 -2.961 1.514 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.596 -2.137 0.285 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.921 -4.375 -1.876 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.370 -3.597 -1.484 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.534 -5.365 -1.364 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.807 -2.237 0.234 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.170 -0.936 0.003 1.00 0.18 C ATOM 1911 C LEU B 558 -11.085 -0.673 -1.483 1.00 0.19 C ATOM 1912 O LEU B 558 -10.044 -0.313 -2.028 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.790 -0.817 0.685 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.805 -0.646 2.212 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.783 -1.596 2.865 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.417 -0.865 2.784 1.00 0.16 C ATOM 0 H LEU B 558 -12.819 -2.180 0.353 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.792 -0.170 0.466 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.210 -1.708 0.445 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.264 0.032 0.249 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.125 0.374 2.425 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.768 -1.448 3.945 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.787 -1.402 2.486 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.501 -2.623 2.636 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.446 -0.740 3.866 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.079 -1.873 2.544 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.727 -0.139 2.353 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.226 -0.868 -2.118 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.390 -0.627 -3.540 1.00 0.21 C ATOM 1930 C GLU B 559 -13.177 0.652 -3.749 1.00 0.24 C ATOM 1931 O GLU B 559 -13.398 1.104 -4.872 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.113 -1.803 -4.178 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.265 -3.052 -4.272 1.00 0.25 C ATOM 1934 CD GLU B 559 -12.992 -4.197 -4.944 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.059 -4.604 -4.448 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.495 -4.708 -5.971 1.00 0.38 O ATOM 0 H GLU B 559 -13.073 -1.201 -1.657 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.412 -0.521 -4.009 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.010 -2.025 -3.600 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.440 -1.519 -5.178 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.354 -2.828 -4.828 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -11.961 -3.357 -3.271 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.601 1.213 -2.634 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.283 2.495 -2.599 1.00 0.31 C ATOM 1945 C ASP B 560 -13.601 3.327 -1.544 1.00 0.25 C ATOM 1946 O ASP B 560 -13.101 2.760 -0.578 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.759 2.356 -2.213 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.477 1.227 -2.918 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.818 1.382 -4.109 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.726 0.189 -2.268 1.00 0.95 O ATOM 0 H ASP B 560 -13.481 0.788 -1.715 1.00 0.25 H new ATOM 0 HA ASP B 560 -14.239 2.945 -3.591 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.829 2.201 -1.136 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.271 3.292 -2.434 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.571 4.638 -1.691 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.924 5.468 -0.692 1.00 0.26 C ATOM 1957 C GLU B 561 -13.610 5.279 0.658 1.00 0.26 C ATOM 1958 O GLU B 561 -12.962 5.009 1.666 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.954 6.939 -1.097 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.227 7.834 -0.112 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.414 9.310 -0.411 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -13.461 9.870 -0.023 1.00 0.68 O ATOM 1963 OE2 GLU B 561 -11.521 9.917 -1.037 1.00 0.69 O ATOM 0 H GLU B 561 -13.979 5.144 -2.477 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.881 5.162 -0.613 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.502 7.049 -2.083 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.990 7.267 -1.183 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.585 7.624 0.896 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.163 7.596 -0.128 1.00 0.35 H new ATOM 1970 N LYS B 562 -14.930 5.387 0.649 1.00 0.30 N ATOM 1971 CA LYS B 562 -15.728 5.227 1.854 1.00 0.39 C ATOM 1972 C LYS B 562 -15.462 3.881 2.518 1.00 0.34 C ATOM 1973 O LYS B 562 -15.241 3.820 3.718 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.212 5.342 1.522 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.104 5.550 2.739 1.00 0.74 C ATOM 1976 CD LYS B 562 -17.753 6.838 3.468 1.00 1.73 C ATOM 1977 CE LYS B 562 -18.742 7.152 4.581 1.00 2.39 C ATOM 1978 NZ LYS B 562 -18.706 6.150 5.682 1.00 3.03 N ATOM 0 H LYS B 562 -15.475 5.587 -0.189 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.444 6.019 2.547 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.356 6.173 0.832 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.529 4.438 1.002 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.148 5.579 2.427 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -17.998 4.705 3.419 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -16.750 6.755 3.887 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -17.734 7.664 2.756 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -18.524 8.140 4.987 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -19.749 7.193 4.166 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -19.552 6.258 6.277 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -18.687 5.192 5.279 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -17.854 6.300 6.260 1.00 3.03 H new ATOM 1992 N SER B 563 -15.436 2.813 1.728 1.00 0.27 N ATOM 1993 CA SER B 563 -15.242 1.469 2.260 1.00 0.24 C ATOM 1994 C SER B 563 -13.787 1.262 2.662 1.00 0.21 C ATOM 1995 O SER B 563 -13.460 0.369 3.438 1.00 0.20 O ATOM 1996 CB SER B 563 -15.652 0.433 1.212 1.00 0.27 C ATOM 1997 OG SER B 563 -16.888 0.780 0.606 1.00 0.91 O ATOM 0 H SER B 563 -15.547 2.852 0.715 1.00 0.27 H new ATOM 0 HA SER B 563 -15.866 1.347 3.145 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.878 0.358 0.449 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.735 -0.548 1.679 1.00 0.27 H new ATOM 0 HG SER B 563 -16.875 0.516 -0.338 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.935 2.118 2.133 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.512 2.047 2.363 1.00 0.19 C ATOM 2005 C LEU B 564 -11.233 2.665 3.714 1.00 0.21 C ATOM 2006 O LEU B 564 -10.585 2.076 4.574 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.782 2.832 1.279 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.324 2.449 1.018 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.745 3.344 -0.038 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.462 2.542 2.253 1.00 0.18 C ATOM 0 H LEU B 564 -13.217 2.888 1.526 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.169 1.013 2.338 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.335 2.720 0.347 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.814 3.889 1.544 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.329 1.409 0.691 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.707 3.067 -0.220 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.316 3.236 -0.960 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.791 4.380 0.298 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.439 2.258 2.005 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.474 3.565 2.629 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.849 1.870 3.019 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.774 3.854 3.900 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.586 4.578 5.135 1.00 0.26 C ATOM 2024 C VAL B 565 -12.416 3.977 6.243 1.00 0.28 C ATOM 2025 O VAL B 565 -11.987 3.972 7.376 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.914 6.067 4.968 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.342 6.533 3.659 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.411 6.332 5.028 1.00 0.30 C ATOM 0 H VAL B 565 -12.348 4.337 3.208 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.534 4.494 5.406 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.469 6.623 5.794 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.565 7.591 3.521 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.262 6.387 3.661 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.784 5.960 2.844 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.597 7.399 4.905 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.910 5.783 4.230 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.800 6.004 5.992 1.00 0.30 H new ATOM 2038 N SER B 566 -13.584 3.439 5.906 1.00 0.28 N ATOM 2039 CA SER B 566 -14.417 2.738 6.879 1.00 0.30 C ATOM 2040 C SER B 566 -13.663 1.558 7.466 1.00 0.30 C ATOM 2041 O SER B 566 -13.969 1.073 8.552 1.00 0.35 O ATOM 2042 CB SER B 566 -15.696 2.253 6.210 1.00 0.31 C ATOM 2043 OG SER B 566 -16.546 3.342 5.903 1.00 0.75 O ATOM 0 H SER B 566 -13.976 3.475 4.965 1.00 0.28 H new ATOM 0 HA SER B 566 -14.671 3.427 7.684 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.451 1.709 5.298 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.214 1.556 6.868 1.00 0.31 H new ATOM 0 HG SER B 566 -16.134 3.891 5.204 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.658 1.135 6.735 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.837 0.014 7.118 1.00 0.25 C ATOM 2051 C TYR B 567 -10.566 0.508 7.790 1.00 0.26 C ATOM 2052 O TYR B 567 -9.979 -0.186 8.604 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.517 -0.778 5.865 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.713 -2.030 6.080 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.338 -3.226 6.392 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.334 -2.022 5.925 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.615 -4.388 6.548 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.599 -3.182 6.087 1.00 0.25 C ATOM 2059 CZ TYR B 567 -9.246 -4.362 6.397 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.527 -5.523 6.543 1.00 0.29 O ATOM 0 H TYR B 567 -12.386 1.564 5.850 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.361 -0.623 7.831 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.454 -1.048 5.377 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.973 -0.131 5.176 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.411 -3.248 6.515 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.830 -1.100 5.675 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -11.118 -5.313 6.787 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.525 -3.165 5.972 1.00 0.25 H new ATOM 0 HH TYR B 567 -8.587 -6.051 5.719 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.141 1.705 7.410 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.948 2.329 7.969 1.00 0.29 C ATOM 2072 C LEU B 568 -9.219 3.080 9.268 1.00 0.35 C ATOM 2073 O LEU B 568 -8.413 3.037 10.193 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.395 3.302 6.956 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.203 2.817 6.157 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.348 1.351 5.774 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.090 3.676 4.929 1.00 0.26 C ATOM 0 H LEU B 568 -10.613 2.272 6.705 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.240 1.532 8.197 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.192 3.565 6.260 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.112 4.217 7.476 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.300 2.897 6.763 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.475 1.036 5.202 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.428 0.745 6.677 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.245 1.220 5.169 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.238 3.349 4.333 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.002 3.587 4.338 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.948 4.716 5.224 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.346 3.781 9.332 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.661 4.621 10.492 1.00 0.46 C ATOM 2091 C ASN B 569 -11.204 3.786 11.650 1.00 0.50 C ATOM 2092 O ASN B 569 -11.666 4.330 12.655 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.670 5.728 10.137 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.115 5.251 10.119 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -14.007 5.943 10.615 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.374 4.110 9.501 1.00 0.44 N ATOM 0 H ASN B 569 -11.056 3.787 8.600 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.727 5.091 10.801 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.573 6.541 10.857 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.419 6.137 9.158 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.336 3.779 9.424 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.612 3.562 9.102 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.146 2.471 11.489 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.607 1.532 12.504 1.00 0.59 C ATOM 2105 C TYR B 570 -10.950 1.827 13.855 1.00 0.90 C ATOM 2106 O TYR B 570 -11.687 2.046 14.833 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.329 0.084 12.062 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.861 -0.301 12.032 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.989 0.253 11.101 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.346 -1.217 12.940 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.656 -0.093 11.076 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.011 -1.567 12.924 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.170 -1.004 11.989 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.839 -1.352 11.971 1.00 1.04 O ATOM 2115 OXT TYR B 570 -9.701 1.879 13.922 1.00 1.66 O ATOM 0 H TYR B 570 -10.777 2.024 10.650 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.684 1.653 12.622 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.854 -0.594 12.735 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.750 -0.065 11.068 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.364 0.968 10.384 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.002 -1.664 13.672 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.995 0.347 10.344 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.628 -2.278 13.641 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.662 -2.004 12.681 1.00 1.04 H new TER 2125 TYR B 570